tweak cube clamp param

add param to clamp cube values
2026-06-05 14:04:36 +08:00 · 2022-11-08 22:28:47 -08:00 · 2022-11-08 22:17:23 -08:00
69 changed files with 1469 additions and 2910 deletions
--- a/CHANGELOG.md
+++ b/CHANGELOG.md
@@ -6,41 +6,18 @@ Note that since we don't clearly distinguish between a public and private interf

 ## [Unreleased]

-## [v3.26.0] - 2022-12-04
-
- Support for ``powerPreference`` webgl attribute. Add ``PluginConfig.General.PowerPreference`` and ``power-preference`` Viewer GET param.
- Excluded common protein caps `NME` and `ACE` from the ligand selection query
- Add screen-space shadow post-processing effect
- Add "Structure Molecular Surface" visual
- Add `external-volume` theme (coloring of arbitrary geometries by user-selected volume)
-
-## [v3.25.1] - 2022-11-20
-
- Fix edge-case in `Structure.eachUnitPair` with single-element units
- Fix 'auto' structure-quality for coarse models
-
-## [v3.25.0] - 2022-11-16
-
- Fix handling of gzipped assets (reverts #615)
-
-## [v3.24.0] - 2022-11-13
-
 - Make `PluginContext.initContainer` checkered canvas background optional
- Store URL of downloaded assets to detect zip/gzip based on extension (#615)
- Add optional `operator.key`; can be referenced in `IndexPairBonds`
- Add overpaint/transparency/substance theme strength to representations
- Fix viewport color for transparent background

 ## [v3.23.0] - 2022-10-19

 - Add `PluginContext.initContainer/mount/unmount` methods; these should make it easier to reuse a plugin context with both custom and built-in UI
 - Add `PluginContext.canvas3dInitialized`
 - `createPluginUI` now resolves after the 3d canvas has been initialized
- Change EM Volume Streaming default from `Whole Structure` to `Auto`
+- Change EM Volume Streaming default from `Whote Structure` to `Auto`

 ## [v3.22.0] - 2022-10-17

- Replace `VolumeIsosurfaceParams.pickingGranularity` param with `Volume.PickingGranuality`
+- Replace `VolumeIsosurfaceParams.pickingGranularity` param with `Volume.PickingGranuality` 

 ## [v3.21.0] - 2022-10-17

--- a/package-lock.json
+++ b/package-lock.json
--- a/package.json
+++ b/package.json
@@ -1,6 +1,6 @@
 {
  "name": "molstar",
-  "version": "3.26.0",
+  "version": "3.23.0",
  "description": "A comprehensive macromolecular library.",
  "homepage": "https://github.com/molstar/molstar#readme",
  "repository": {
@@ -92,58 +92,57 @@
    "Panagiotis Tourlas <panagiot_tourlov@hotmail.com>",
    "Adam Midlik <midlik@gmail.com>",
    "Koya Sakuma <koya.sakuma.work@gmail.com>",
-    "Gianluca Tomasello <giagitom@gmail.com>",
-    "Jason Pattle <jpattle@exscientia.co.uk>"
+    "Gianluca Tomasello <giagitom@gmail.com>"
  ],
  "license": "MIT",
  "devDependencies": {
    "@graphql-codegen/add": "^3.2.1",
-    "@graphql-codegen/cli": "^2.15.0",
+    "@graphql-codegen/cli": "^2.13.7",
    "@graphql-codegen/time": "^3.2.1",
-    "@graphql-codegen/typescript": "^2.8.3",
+    "@graphql-codegen/typescript": "^2.7.4",
    "@graphql-codegen/typescript-graphql-files-modules": "^2.2.1",
-    "@graphql-codegen/typescript-graphql-request": "^4.5.8",
-    "@graphql-codegen/typescript-operations": "^2.5.8",
+    "@graphql-codegen/typescript-graphql-request": "^4.5.6",
+    "@graphql-codegen/typescript-operations": "^2.5.4",
    "@types/cors": "^2.8.12",
-    "@types/gl": "^6.0.2",
-    "@types/jest": "^29.2.3",
-    "@types/react": "^18.0.26",
-    "@types/react-dom": "^18.0.9",
-    "@typescript-eslint/eslint-plugin": "^5.45.0",
-    "@typescript-eslint/parser": "^5.45.0",
+    "@types/gl": "^4.1.1",
+    "@types/jest": "^29.1.2",
+    "@types/react": "^18.0.21",
+    "@types/react-dom": "^18.0.6",
+    "@typescript-eslint/eslint-plugin": "^5.40.0",
+    "@typescript-eslint/parser": "^5.40.0",
    "benchmark": "^2.1.4",
-    "concurrently": "^7.6.0",
+    "concurrently": "^7.4.0",
    "cpx2": "^4.2.0",
    "crypto-browserify": "^3.12.0",
-    "css-loader": "^6.7.2",
-    "eslint": "^8.29.0",
+    "css-loader": "^6.7.1",
+    "eslint": "^8.25.0",
    "extra-watch-webpack-plugin": "^1.0.3",
    "file-loader": "^6.2.0",
-    "fs-extra": "^11.1.0",
+    "fs-extra": "^10.1.0",
    "graphql": "^16.6.0",
    "http-server": "^14.1.1",
-    "jest": "^29.3.1",
-    "mini-css-extract-plugin": "^2.7.1",
+    "jest": "^29.2.0",
+    "mini-css-extract-plugin": "^2.6.1",
    "path-browserify": "^1.0.1",
    "raw-loader": "^4.0.2",
    "react": "^18.2.0",
    "react-dom": "^18.2.0",
-    "sass": "^1.56.1",
-    "sass-loader": "^13.2.0",
-    "simple-git": "^3.15.1",
+    "sass": "^1.55.0",
+    "sass-loader": "^13.1.0",
+    "simple-git": "^3.14.1",
    "stream-browserify": "^3.0.0",
    "style-loader": "^3.3.1",
    "ts-jest": "^29.0.3",
-    "typescript": "^4.9.3",
-    "webpack": "^5.75.0",
-    "webpack-cli": "^5.0.0"
+    "typescript": "^4.8.4",
+    "webpack": "^5.74.0",
+    "webpack-cli": "^4.10.0"
  },
  "dependencies": {
    "@types/argparse": "^2.0.10",
    "@types/benchmark": "^2.1.2",
    "@types/compression": "1.7.2",
    "@types/express": "^4.17.14",
-    "@types/node": "^16.18.4",
+    "@types/node": "^16.11.66",
    "@types/node-fetch": "^2.6.2",
    "@types/swagger-ui-dist": "3.30.1",
    "argparse": "^2.0.1",
@@ -152,12 +151,12 @@
    "cors": "^2.8.5",
    "express": "^4.18.2",
    "h264-mp4-encoder": "^1.0.12",
-    "immer": "^9.0.16",
+    "immer": "^9.0.15",
    "immutable": "^4.1.0",
    "node-fetch": "^2.6.7",
-    "rxjs": "^7.6.0",
-    "swagger-ui-dist": "^4.15.5",
-    "tslib": "^2.4.1",
+    "rxjs": "^7.5.7",
+    "swagger-ui-dist": "^4.14.3",
+    "tslib": "^2.4.0",
    "util.promisify": "^1.1.1",
    "xhr2": "^0.2.1"
  },
--- a/src/apps/docking-viewer/viewport.tsx
+++ b/src/apps/docking-viewer/viewport.tsx
@@ -31,8 +31,7 @@ function shinyStyle(plugin: PluginContext) {
        postprocessing: {
            ...plugin.canvas3d!.props.postprocessing,
            occlusion: { name: 'off', params: {} },
-            shadow: { name: 'off', params: {} },
-            outline: { name: 'off', params: {} },
+            outline: { name: 'off', params: {} }
        }
    } });
 }
@@ -49,14 +48,13 @@ function occlusionStyle(plugin: PluginContext) {
                blurKernelSize: 15,
                radius: 5,
                samples: 32,
-                resolutionScale: 1,
+                resolutionScale: 1
            } },
            outline: { name: 'on', params: {
                scale: 1.0,
                threshold: 0.33,
                color: Color(0x0000),
-            } },
-            shadow: { name: 'off', params: {} },
+            } }
        }
    } });
 }
--- a/src/apps/viewer/app.ts
+++ b/src/apps/viewer/app.ts
@@ -91,7 +91,6 @@ const DefaultViewerOptions = {
    enableDpoit: PluginConfig.General.EnableDpoit.defaultValue,
    preferWebgl1: PluginConfig.General.PreferWebGl1.defaultValue,
    allowMajorPerformanceCaveat: PluginConfig.General.AllowMajorPerformanceCaveat.defaultValue,
-    powerPreference: PluginConfig.General.PowerPreference.defaultValue,

    viewportShowExpand: PluginConfig.Viewport.ShowExpand.defaultValue,
    viewportShowControls: PluginConfig.Viewport.ShowControls.defaultValue,
@@ -164,7 +163,6 @@ export class Viewer {
                [PluginConfig.General.EnableDpoit, o.enableDpoit],
                [PluginConfig.General.PreferWebGl1, o.preferWebgl1],
                [PluginConfig.General.AllowMajorPerformanceCaveat, o.allowMajorPerformanceCaveat],
-                [PluginConfig.General.PowerPreference, o.powerPreference],
                [PluginConfig.Viewport.ShowExpand, o.viewportShowExpand],
                [PluginConfig.Viewport.ShowControls, o.viewportShowControls],
                [PluginConfig.Viewport.ShowSettings, o.viewportShowSettings],
--- a/src/apps/viewer/index.html
+++ b/src/apps/viewer/index.html
@@ -63,7 +63,6 @@
            var enableDpoit = getParam('enable-dpoit', '[^&]+').trim() === '1';
            var preferWebgl1 = getParam('prefer-webgl1', '[^&]+').trim() === '1' || void 0;
            var allowMajorPerformanceCaveat = getParam('allow-major-performance-caveat', '[^&]+').trim() === '1';
-            var powerPreference = getParam('power-preference', '[^&]+').trim().toLowerCase();

            molstar.Viewer.create('app', {
                layoutShowControls: !hideControls,
@@ -81,7 +80,6 @@
                enableDpoit: enableDpoit ? true : void 0,
                preferWebgl1: preferWebgl1,
                allowMajorPerformanceCaveat: allowMajorPerformanceCaveat,
-                powerPreference: powerPreference || 'high-performance',
            }).then(viewer => {
                var snapshotId = getParam('snapshot-id', '[^&]+').trim();
                if (snapshotId) viewer.setRemoteSnapshot(snapshotId);
--- a/src/examples/lighting/index.ts
+++ b/src/examples/lighting/index.ts
@@ -1,5 +1,5 @@
 /**
- * Copyright (c) 2019-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2019-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
 *
 * @author Alexander Rose <alexander.rose@weirdbyte.de>
 */
@@ -25,8 +25,7 @@ const Canvas3DPresets = {
        canvas3d: <Preset>{
            postprocessing: {
                occlusion: { name: 'on', params: { samples: 32, radius: 6, bias: 1.4, blurKernelSize: 15, resolutionScale: 1 } },
-                outline: { name: 'on', params: { scale: 1, threshold: 0.33, color: Color(0x000000) } },
-                shadow: { name: 'off', params: {} },
+                outline: { name: 'on', params: { scale: 1, threshold: 0.33, color: Color(0x000000) } }
            },
            renderer: {
                ambientIntensity: 1.0,
@@ -38,8 +37,7 @@ const Canvas3DPresets = {
        canvas3d: <Preset>{
            postprocessing: {
                occlusion: { name: 'on', params: { samples: 32, radius: 6, bias: 1.4, blurKernelSize: 15, resolutionScale: 1 } },
-                outline: { name: 'off', params: {} },
-                shadow: { name: 'off', params: {} },
+                outline: { name: 'off', params: {} }
            },
            renderer: {
                ambientIntensity: 0.4,
@@ -52,8 +50,7 @@ const Canvas3DPresets = {
        canvas3d: <Preset>{
            postprocessing: {
                occlusion: { name: 'off', params: {} },
-                outline: { name: 'off', params: {} },
-                shadow: { name: 'off', params: {} },
+                outline: { name: 'off', params: {} }
            },
            renderer: {
                ambientIntensity: 0.4,
--- a/src/extensions/cellpack/model.ts
+++ b/src/extensions/cellpack/model.ts
@@ -606,15 +606,6 @@ export const LoadCellPackModel = StateAction.build({
                        resolutionScale: 1,
                    }
                },
-                shadow: {
-                    name: 'on',
-                    params: {
-                        bias: 0.6,
-                        maxDistance: 80,
-                        steps: 3,
-                        tolerance: 1.0,
-                    }
-                },
                outline: {
                    name: 'on',
                    params: {
--- a/src/extensions/rcsb/graphql/types.ts
+++ b/src/extensions/rcsb/graphql/types.ts
@@ -4,7 +4,7 @@ export type InputMaybe<T> = Maybe<T>;
 export type Exact<T extends { [key: string]: unknown }> = { [K in keyof T]: T[K] };
 export type MakeOptional<T, K extends keyof T> = Omit<T, K> & { [SubKey in K]?: Maybe<T[SubKey]> };
 export type MakeMaybe<T, K extends keyof T> = Omit<T, K> & { [SubKey in K]: Maybe<T[SubKey]> };
-// Generated on 2022-12-03T21:55:37-08:00
+// Generated on 2022-08-20T16:36:05-07:00

 /** All built-in and custom scalars, mapped to their actual values */
 export type Scalars = {
@@ -343,14 +343,6 @@ export type Citation = {
   *
   */
  readonly journal_abbrev?: Maybe<Scalars['String']>;
-  /**
-   * Full name of the cited journal; relevant for journal articles.
-   *
-   * Examples:
-   * Journal of Molecular Biology
-   *
-   */
-  readonly journal_full?: Maybe<Scalars['String']>;
  /**
   * The American Society for Testing and Materials (ASTM) code
   *  assigned to the journal cited (also referred to as the CODEN
@@ -558,7 +550,6 @@ export type CoreBranchedEntityInstance = {
  readonly rcsb_id: Scalars['String'];
  readonly rcsb_latest_revision?: Maybe<RcsbLatestRevision>;
  readonly rcsb_ligand_neighbors?: Maybe<ReadonlyArray<Maybe<RcsbLigandNeighbors>>>;
-  readonly struct_asym?: Maybe<StructAsym>;
 };

 export type CoreChemComp = {
@@ -670,7 +661,6 @@ export type CoreEntry = {
  readonly exptl?: Maybe<ReadonlyArray<Maybe<Exptl>>>;
  readonly exptl_crystal?: Maybe<ReadonlyArray<Maybe<ExptlCrystal>>>;
  readonly exptl_crystal_grow?: Maybe<ReadonlyArray<Maybe<ExptlCrystalGrow>>>;
-  readonly ma_data?: Maybe<ReadonlyArray<Maybe<MaData>>>;
  /** Get all non-polymer (non-solvent) entities for this PDB entry. */
  readonly nonpolymer_entities?: Maybe<ReadonlyArray<Maybe<CoreNonpolymerEntity>>>;
  readonly pdbx_SG_project?: Maybe<ReadonlyArray<Maybe<PdbxSgProject>>>;
@@ -711,7 +701,6 @@ export type CoreEntry = {
  /** The list of content types associated with this entry. */
  readonly rcsb_associated_holdings?: Maybe<CurrentEntry>;
  readonly rcsb_binding_affinity?: Maybe<ReadonlyArray<Maybe<RcsbBindingAffinity>>>;
-  readonly rcsb_comp_model_provenance?: Maybe<RcsbCompModelProvenance>;
  readonly rcsb_entry_container_identifiers: RcsbEntryContainerIdentifiers;
  readonly rcsb_entry_group_membership?: Maybe<ReadonlyArray<Maybe<RcsbEntryGroupMembership>>>;
  readonly rcsb_entry_info: RcsbEntryInfo;
@@ -724,7 +713,6 @@ export type CoreEntry = {
   *
   */
  readonly rcsb_id: Scalars['String'];
-  readonly rcsb_ma_qa_metric_global?: Maybe<ReadonlyArray<Maybe<RcsbMaQaMetricGlobal>>>;
  readonly rcsb_primary_citation?: Maybe<RcsbPrimaryCitation>;
  readonly refine?: Maybe<ReadonlyArray<Maybe<Refine>>>;
  readonly refine_analyze?: Maybe<ReadonlyArray<Maybe<RefineAnalyze>>>;
@@ -798,7 +786,6 @@ export type CoreNonpolymerEntityInstance = {
  readonly rcsb_nonpolymer_instance_validation_score?: Maybe<ReadonlyArray<Maybe<RcsbNonpolymerInstanceValidationScore>>>;
  readonly rcsb_nonpolymer_struct_conn?: Maybe<ReadonlyArray<Maybe<RcsbNonpolymerStructConn>>>;
  readonly rcsb_target_neighbors?: Maybe<ReadonlyArray<Maybe<RcsbTargetNeighbors>>>;
-  readonly struct_asym?: Maybe<StructAsym>;
 };

 export type CorePfam = {
@@ -932,7 +919,6 @@ export type CorePolymerEntityInstance = {
  readonly rcsb_polymer_instance_feature?: Maybe<ReadonlyArray<Maybe<RcsbPolymerInstanceFeature>>>;
  readonly rcsb_polymer_instance_feature_summary?: Maybe<ReadonlyArray<Maybe<RcsbPolymerInstanceFeatureSummary>>>;
  readonly rcsb_polymer_struct_conn?: Maybe<ReadonlyArray<Maybe<RcsbPolymerStructConn>>>;
-  readonly struct_asym?: Maybe<StructAsym>;
 };

 export type CorePubmed = {
@@ -1298,9 +1284,9 @@ export type Em2dCrystalEntity = {
  readonly id: Scalars['String'];
  /** pointer to _em_image_processing.id in the EM_IMAGE_PROCESSING category. */
  readonly image_processing_id: Scalars['String'];
-  /** Unit-cell length a in angstroms. */
+  /** Unit-cell length a in Angstroms. */
  readonly length_a?: Maybe<Scalars['Float']>;
-  /** Unit-cell length b in angstroms. */
+  /** Unit-cell length b in Angstroms. */
  readonly length_b?: Maybe<Scalars['Float']>;
  /** Thickness of 2D crystal */
  readonly length_c?: Maybe<Scalars['Float']>;
@@ -1331,11 +1317,11 @@ export type Em3dCrystalEntity = {
  readonly id: Scalars['String'];
  /** pointer to _em_image_processing.id in the EM_IMAGE_PROCESSING category. */
  readonly image_processing_id: Scalars['String'];
-  /** Unit-cell length a in angstroms. */
+  /** Unit-cell length a in Angstroms. */
  readonly length_a?: Maybe<Scalars['Float']>;
-  /** Unit-cell length b in angstroms. */
+  /** Unit-cell length b in Angstroms. */
  readonly length_b?: Maybe<Scalars['Float']>;
-  /** Unit-cell length c in angstroms. */
+  /** Unit-cell length c in Angstroms. */
  readonly length_c?: Maybe<Scalars['Float']>;
  /**
   * Space group name.
@@ -1496,7 +1482,7 @@ export type Em3dReconstruction = {
   */
  readonly refinement_type?: Maybe<Scalars['String']>;
  /**
-   * The final resolution (in angstroms)of the 3D reconstruction.
+   * The final resolution (in Angstroms)of the 3D reconstruction.
   *
   * Examples:
   * null, null
@@ -1572,7 +1558,7 @@ export type EmDiffractionShell = {
   */
  readonly fourier_space_coverage?: Maybe<Scalars['Float']>;
  /**
-   * High resolution limit for this shell (angstroms)
+   * High resolution limit for this shell (Angstroms)
   *
   * Examples:
   * null
@@ -1582,7 +1568,7 @@ export type EmDiffractionShell = {
  /** Unique identifier for the category em_diffraction_shell */
  readonly id: Scalars['String'];
  /**
-   * Low resolution limit for this shell (angstroms)
+   * Low resolution limit for this shell (Angstroms)
   *
   * Examples:
   * null
@@ -1628,7 +1614,7 @@ export type EmDiffractionStats = {
   */
  readonly fourier_space_coverage?: Maybe<Scalars['Float']>;
  /**
-   * High resolution limit of the structure factor data, in angstroms
+   * High resolution limit of the structure factor data, in Angstroms
   *
   * Examples:
   * null
@@ -2012,12 +1998,12 @@ export type EmImaging = {
  /** The magnification indicated by the microscope readout. */
  readonly nominal_magnification?: Maybe<Scalars['Int']>;
  /**
-   * The specimen temperature maximum (kelvin) for the duration
+   * The specimen temperature maximum (degrees Kelvin) for the duration
   *  of imaging.
   */
  readonly recording_temperature_maximum?: Maybe<Scalars['Float']>;
  /**
-   * The specimen temperature minimum (kelvin) for the duration
+   * The specimen temperature minimum (degrees Kelvin) for the duration
   *  of imaging.
   */
  readonly recording_temperature_minimum?: Maybe<Scalars['Float']>;
@@ -2042,7 +2028,7 @@ export type EmImaging = {
  /** Foreign key to the EM_SPECIMEN category */
  readonly specimen_id?: Maybe<Scalars['String']>;
  /**
-   * The mean specimen stage temperature (in kelvin) during imaging
+   * The mean specimen stage temperature (degrees Kelvin) during imaging
   *  in the microscope.
   */
  readonly temperature?: Maybe<Scalars['Float']>;
@@ -2229,7 +2215,7 @@ export type EmStaining = {
 };

 export type EmVitrification = {
-  /** The temperature (in kelvin) of the sample just prior to vitrification. */
+  /** The temperature (in degrees Kelvin) of the sample just prior to vitrification. */
  readonly chamber_temperature?: Maybe<Scalars['Float']>;
  /**
   * This is the name of the cryogen.
@@ -2273,7 +2259,7 @@ export type EmVitrification = {
  /** This data item is a pointer to _em_specimen.id */
  readonly specimen_id: Scalars['String'];
  /**
-   * The vitrification temperature (in kelvin), e.g.,
+   * The vitrification temperature (in degrees Kelvin), e.g.,
   *   temperature of the plunge instrument cryogen bath.
   */
  readonly temp?: Maybe<Scalars['Float']>;
@@ -2378,14 +2364,6 @@ export type EntityPoly = {
   *
   */
  readonly pdbx_seq_one_letter_code_can?: Maybe<Scalars['String']>;
-  /**
-   * Evidence for the assignment of the polymer sequence.
-   *
-   * Allowable values:
-   * depositor provided, derived from coordinates
-   *
-   */
-  readonly pdbx_sequence_evidence_code?: Maybe<Scalars['String']>;
  /**
   * The PDB strand/chain id(s) corresponding to this polymer entity.
   *
@@ -3027,8 +3005,6 @@ export type Entry = {
   *  identifier.
   */
  readonly id: Scalars['String'];
-  /** An identifier for the model collection associated with the entry. */
-  readonly ma_collection_id?: Maybe<Scalars['String']>;
 };

 export type Exptl = {
@@ -3287,29 +3263,6 @@ export type InterfacePartnerFeatureFeaturePositions = {
  readonly values?: Maybe<ReadonlyArray<Maybe<Scalars['Float']>>>;
 };

-export type MaData = {
-  /**
-   * The type of data held in the dataset.
-   *
-   * Allowable values:
-   * coevolution MSA, input structure, model coordinates, other, polymeric template library, spatial restraints, target, target-template alignment, template structure
-   *
-   */
-  readonly content_type?: Maybe<Scalars['String']>;
-  /** Details for other content types. */
-  readonly content_type_other_details?: Maybe<Scalars['String']>;
-  /** A unique identifier for the data. */
-  readonly id: Scalars['Int'];
-  /**
-   * An author-given name for the content held in the dataset.
-   *
-   * Examples:
-   * NMR NOE Distances, Target Template Alignment, Coevolution Data
-   *
-   */
-  readonly name?: Maybe<Scalars['String']>;
-};
-
 export type MethodDetails = {
  /** A description of special aspects of the clustering process */
  readonly description?: Maybe<Scalars['String']>;
@@ -4246,7 +4199,7 @@ export type PdbxNmrExptlSampleConditions = {
   */
  readonly pressure_units?: Maybe<Scalars['String']>;
  /**
-   * The temperature (in kelvin) at which NMR data were
+   * The temperature (in Kelvin) at which NMR data were
   *  collected.
   */
  readonly temperature?: Maybe<Scalars['String']>;
@@ -4500,7 +4453,7 @@ export type PdbxPrdAudit = {
   * An identifier for the wwPDB site creating or modifying the molecule.
   *
   * Allowable values:
-   * BMRB, PDBC, PDBE, PDBJ, RCSB
+   * BMRB, PDBC, PDBJ, PDBe, RCSB
   *
   */
  readonly processing_site?: Maybe<Scalars['String']>;
@@ -6864,7 +6817,7 @@ export type Query = {
  readonly assemblies?: Maybe<ReadonlyArray<Maybe<CoreAssembly>>>;
  /** Get an assembly given the PDB ID and ASSEMBLY ID. Here ASSEMBLY ID is '1', '2', '3', etc. or 'deposited' for deposited coordinates. */
  readonly assembly?: Maybe<CoreAssembly>;
-  /** Get a list of PDB branched entities given a list of ENTITY IDs. Here ENTITY ID is a compound identifier that includes entry_id and entity_id separated by '_', e.g. 1XXX_1. Note that the ENTRY ID part must be upper case. */
+  /** Get a list of PDB branched entities given a list of ENTITY IDs. Here ENTITY ID is a compound identifier that includes entry_id and entity_id separated by '_', e.g. 1XXX_1. */
  readonly branched_entities?: Maybe<ReadonlyArray<Maybe<CoreBranchedEntity>>>;
  /** Get a PDB branched entity, given the PDB ID and ENTITY ID. Here ENTITY ID is a '1', '2', '3', etc. */
  readonly branched_entity?: Maybe<CoreBranchedEntity>;
@@ -6888,9 +6841,9 @@ export type Query = {
  readonly group_provenance?: Maybe<GroupProvenance>;
  /** Get a pairwise polymeric interface given the PDB ID, ASSEMBLY ID and INTERFACE ID. */
  readonly interface?: Maybe<CoreInterface>;
-  /** Get a list of pairwise polymeric interfaces given a list of INTERFACE IDs. Here INTERFACE ID is a compound identifier that includes entry_id, assembly_id and interface_id e.g. 1XXX-1.1. Note that the ENTRY ID part must be upper case. */
+  /** Get a list of pairwise polymeric interfaces given a list of INTERFACE IDs. Here INTERFACE ID is a compound identifier that includes entry_id, assembly_id and interface_id e.g. 1XXX-1.1. */
  readonly interfaces?: Maybe<ReadonlyArray<Maybe<CoreInterface>>>;
-  /** Get a list of PDB non-polymer entities given a list of ENTITY IDs. Here ENTITY ID is a compound identifier that includes entry_id and entity_id separated by '_', e.g. 1XXX_1. Note that the ENTRY ID part must be upper case. */
+  /** Get a list of PDB non-polymer entities given a list of ENTITY IDs. Here ENTITY ID is a compound identifier that includes entry_id and entity_id separated by '_', e.g. 1XXX_1. */
  readonly nonpolymer_entities?: Maybe<ReadonlyArray<Maybe<CoreNonpolymerEntity>>>;
  /** Get a PDB non-polymer entity, given the PDB ID and ENTITY ID. Here ENTITY ID is a '1', '2', '3', etc. */
  readonly nonpolymer_entity?: Maybe<CoreNonpolymerEntity>;
@@ -6898,7 +6851,7 @@ export type Query = {
  readonly nonpolymer_entity_instance?: Maybe<CoreNonpolymerEntityInstance>;
  /** Get a list of PDB non-polymer entity instances (chains), given the list of ENTITY INSTANCE IDs. Here ENTITY INSTANCE ID identifies structural element in the asymmetric unit, e.g. 'A', 'B', etc. */
  readonly nonpolymer_entity_instances?: Maybe<ReadonlyArray<Maybe<CoreNonpolymerEntityInstance>>>;
-  /** Get a list of PDB polymer entities given a list of ENTITY IDs. Here ENTITY ID is a compound identifier that includes entry_id and entity_id separated by '_', e.g. 1XXX_1. Note that the ENTRY ID part must be upper case. */
+  /** Get a list of PDB polymer entities given a list of ENTITY IDs. Here ENTITY ID is a compound identifier that includes entry_id and entity_id separated by '_', e.g. 1XXX_1. */
  readonly polymer_entities?: Maybe<ReadonlyArray<Maybe<CorePolymerEntity>>>;
  /** Get a PDB polymer entity, given the PDB ID and ENTITY ID. Here ENTITY ID is a '1', '2', '3', etc. */
  readonly polymer_entity?: Maybe<CorePolymerEntity>;
@@ -8468,29 +8421,6 @@ export type RcsbClusterMembership = {
  readonly identity?: Maybe<Scalars['Int']>;
 };

-export type RcsbCompModelProvenance = {
-  /**
-   * Entry identifier corresponding to the computed structure model.
-   *
-   * Examples:
-   * AF-P60325-F1, ma-bak-cepc-0019
-   *
-   */
-  readonly entry_id: Scalars['String'];
-  /**
-   * Source database for the computed structure model.
-   *
-   * Allowable values:
-   * AlphaFoldDB, ModelArchive
-   *
-   */
-  readonly source_db?: Maybe<Scalars['String']>;
-  /** Source filename for the computed structure model. */
-  readonly source_filename?: Maybe<Scalars['String']>;
-  /** Source URL for computed structure model file. */
-  readonly source_url?: Maybe<Scalars['String']>;
-};
-
 export type RcsbEntityHostOrganism = {
  /**
   * The beginning polymer sequence position for the polymer section corresponding
@@ -8727,7 +8657,7 @@ export type RcsbEntitySourceOrganism = {
   * A code indicating the provenance of the source organism details for the entity
   *
   * Allowable values:
-   * PDB Primary Data, UniProt
+   * PDB Primary Data
   *
   */
  readonly provenance_source?: Maybe<Scalars['String']>;
@@ -8801,7 +8731,7 @@ export type RcsbEntryContainerIdentifiers = {
   * Entry identifier for the container.
   *
   * Examples:
-   * 4HHB, AF_AFP60325F1, MA_MABAKCEPC0019
+   * 1KIP, 4HHB
   *
   */
  readonly entry_id: Scalars['String'];
@@ -8949,15 +8879,6 @@ export type RcsbEntryInfo = {
   *
   */
  readonly na_polymer_entity_types?: Maybe<Scalars['String']>;
-  /**
-   * This data item identifies secondary structure
-   *  features of nucleic acids in the entry.
-   *
-   * Allowable values:
-   * a-form double helix, b-form double helix, bulge loop, double helix, four-way junction, hairpin loop, internal loop, mismatched base pair, other right-handed double helix, parallel strands, quadruple helix, tetraloop, three-way junction, triple helix, two-way junction, z-form double helix
-   *
-   */
-  readonly ndb_struct_conf_na_feature_combined?: Maybe<ReadonlyArray<Maybe<Scalars['String']>>>;
  /** Bound nonpolymer components in this entry. */
  readonly nonpolymer_bound_components?: Maybe<ReadonlyArray<Maybe<Scalars['String']>>>;
  /** The number of distinct non-polymer entities in the structure entry exclusive of solvent. */
@@ -9034,21 +8955,6 @@ export type RcsbEntryInfo = {
  readonly software_programs_combined?: Maybe<ReadonlyArray<Maybe<Scalars['String']>>>;
  /** The number of distinct solvent entities per deposited structure model. */
  readonly solvent_entity_count?: Maybe<Scalars['Int']>;
-  /**
-   * Indicates if the structure was determined using experimental or computational methods.
-   *
-   * Allowable values:
-   * computational, experimental
-   *
-   */
-  readonly structure_determination_methodology: Scalars['String'];
-  /**
-   * Indicates the priority of the value in _rcsb_entry_info.structure_determination_methodology.
-   *  The lower the number the higher the priority.
-   *  Priority values for "experimental" structures is currently set to 10 and
-   *  the values for "computational" structures is set to 100.
-   */
-  readonly structure_determination_methodology_priority?: Maybe<Scalars['Int']>;
 };

 export type RcsbEntryInfoDiffrnResolutionHigh = {
@@ -9388,49 +9294,6 @@ export type RcsbLigandNeighbors = {
  readonly seq_id?: Maybe<Scalars['Int']>;
 };

-export type RcsbMaQaMetricGlobal = {
-  readonly ma_qa_metric_global?: Maybe<ReadonlyArray<Maybe<RcsbMaQaMetricGlobalMaQaMetricGlobal>>>;
-  /** The model identifier. */
-  readonly model_id: Scalars['Int'];
-};
-
-export type RcsbMaQaMetricGlobalMaQaMetricGlobal = {
-  /**
-   * Description of the global QA metric.
-   *
-   * Examples:
-   * confidence score predicting accuracy according to the CA-only Local Distance Difference Test (lDDT-CA) in [0,100]
-   *
-   */
-  readonly description?: Maybe<Scalars['String']>;
-  /**
-   * Name of the global QA metric.
-   *
-   * Examples:
-   * pLDDT
-   *
-   */
-  readonly name: Scalars['String'];
-  /**
-   * The type of global QA metric.
-   *
-   * Allowable values:
-   * PAE, contact probability, distance, energy, ipTM, normalized score, other, pLDDT, pLDDT all-atom, pLDDT all-atom in [0,1], pLDDT in [0,1], pTM, zscore
-   *
-   */
-  readonly type: Scalars['String'];
-  /** Details for other type of global QA metric. */
-  readonly type_other_details?: Maybe<Scalars['String']>;
-  /**
-   * Value of the global QA metric.
-   *
-   * Examples:
-   * null
-   *
-   */
-  readonly value: Scalars['Float'];
-};
-
 export type RcsbMembraneLineage = {
  /** Hierarchy depth. */
  readonly depth?: Maybe<Scalars['Int']>;
@@ -10469,7 +10332,7 @@ export type RcsbPolymerEntityContainerIdentifiersReferenceSequenceIdentifiers =
   * Source of the reference database assignment
   *
   * Allowable values:
-   * PDB, RCSB, SIFTS, UniProt
+   * PDB, RCSB, SIFTS
   *
   */
  readonly provenance_source?: Maybe<Scalars['String']>;
@@ -10874,7 +10737,7 @@ export type RcsbPolymerInstanceFeature = {
   * A type or category of the feature.
   *
   * Allowable values:
-   * ANGLE_OUTLIER, BEND, BINDING_SITE, BOND_OUTLIER, C-MANNOSYLATION_SITE, CATH, CIS-PEPTIDE, ECOD, HELIX_P, HELX_LH_PP_P, HELX_RH_3T_P, HELX_RH_AL_P, HELX_RH_PI_P, MA_QA_METRIC_LOCAL_TYPE_CONTACT_PROBABILITY, MA_QA_METRIC_LOCAL_TYPE_DISTANCE, MA_QA_METRIC_LOCAL_TYPE_ENERGY, MA_QA_METRIC_LOCAL_TYPE_IPTM, MA_QA_METRIC_LOCAL_TYPE_NORMALIZED_SCORE, MA_QA_METRIC_LOCAL_TYPE_OTHER, MA_QA_METRIC_LOCAL_TYPE_PAE, MA_QA_METRIC_LOCAL_TYPE_PLDDT, MA_QA_METRIC_LOCAL_TYPE_PLDDT_ALL-ATOM, MA_QA_METRIC_LOCAL_TYPE_PLDDT_ALL-ATOM_[0,1], MA_QA_METRIC_LOCAL_TYPE_PLDDT_[0,1], MA_QA_METRIC_LOCAL_TYPE_PTM, MA_QA_METRIC_LOCAL_TYPE_ZSCORE, MEMBRANE_SEGMENT, MOGUL_ANGLE_OUTLIER, MOGUL_BOND_OUTLIER, N-GLYCOSYLATION_SITE, O-GLYCOSYLATION_SITE, RAMACHANDRAN_OUTLIER, ROTAMER_OUTLIER, RSCC_OUTLIER, RSRZ_OUTLIER, S-GLYCOSYLATION_SITE, SABDAB_ANTIBODY_HEAVY_CHAIN_SUBCLASS, SABDAB_ANTIBODY_LIGHT_CHAIN_SUBCLASS, SABDAB_ANTIBODY_LIGHT_CHAIN_TYPE, SCOP, SCOP2B_SUPERFAMILY, SCOP2_FAMILY, SCOP2_SUPERFAMILY, SHEET, STEREO_OUTLIER, STRN, TURN_TY1_P, UNASSIGNED_SEC_STRUCT, UNOBSERVED_ATOM_XYZ, UNOBSERVED_RESIDUE_XYZ, ZERO_OCCUPANCY_ATOM_XYZ, ZERO_OCCUPANCY_RESIDUE_XYZ, ASA
+   * ANGLE_OUTLIER, BINDING_SITE, BOND_OUTLIER, C-MANNOSYLATION_SITE, CATH, CIS-PEPTIDE, ECOD, HELIX_P, MEMBRANE_SEGMENT, MOGUL_ANGLE_OUTLIER, MOGUL_BOND_OUTLIER, N-GLYCOSYLATION_SITE, O-GLYCOSYLATION_SITE, RAMACHANDRAN_OUTLIER, ROTAMER_OUTLIER, RSCC_OUTLIER, RSRZ_OUTLIER, S-GLYCOSYLATION_SITE, SABDAB_ANTIBODY_HEAVY_CHAIN_SUBCLASS, SABDAB_ANTIBODY_LIGHT_CHAIN_SUBCLASS, SABDAB_ANTIBODY_LIGHT_CHAIN_TYPE, SCOP, SCOP2B_SUPERFAMILY, SCOP2_FAMILY, SCOP2_SUPERFAMILY, SHEET, STEREO_OUTLIER, UNASSIGNED_SEC_STRUCT, UNOBSERVED_ATOM_XYZ, UNOBSERVED_RESIDUE_XYZ, ZERO_OCCUPANCY_ATOM_XYZ, ZERO_OCCUPANCY_RESIDUE_XYZ, ASA
   *
   */
  readonly type?: Maybe<Scalars['String']>;
@@ -10885,7 +10748,7 @@ export type RcsbPolymerInstanceFeatureAdditionalProperties = {
   * The additional property name.
   *
   * Allowable values:
-   * CATH_DOMAIN_ID, CATH_NAME, ECOD_DOMAIN_ID, ECOD_FAMILY_NAME, MODELCIF_MODEL_ID, OMEGA_ANGLE, PARTNER_ASYM_ID, PARTNER_BOND_DISTANCE, PARTNER_COMP_ID, SCOP2_DOMAIN_ID, SCOP2_FAMILY_ID, SCOP2_FAMILY_NAME, SCOP2_SUPERFAMILY_ID, SCOP2_SUPERFAMILY_NAME, SCOP_DOMAIN_ID, SCOP_NAME, SCOP_SUN_ID, SHEET_SENSE
+   * CATH_DOMAIN_ID, CATH_NAME, ECOD_DOMAIN_ID, ECOD_FAMILY_NAME, OMEGA_ANGLE, PARTNER_ASYM_ID, PARTNER_BOND_DISTANCE, PARTNER_COMP_ID, SCOP2_DOMAIN_ID, SCOP2_FAMILY_ID, SCOP2_FAMILY_NAME, SCOP2_SUPERFAMILY_ID, SCOP2_SUPERFAMILY_NAME, SCOP_DOMAIN_ID, SCOP_NAME, SCOP_SUN_ID, SHEET_SENSE
   *
   */
  readonly name?: Maybe<Scalars['String']>;
@@ -10955,7 +10818,7 @@ export type RcsbPolymerInstanceFeatureSummary = {
   * Type or category of the feature.
   *
   * Allowable values:
-   * ANGLE_OUTLIER, BEND, BINDING_SITE, BOND_OUTLIER, C-MANNOSYLATION_SITE, CATH, CIS-PEPTIDE, ECOD, HELIX_P, HELX_LH_PP_P, HELX_RH_3T_P, HELX_RH_AL_P, HELX_RH_PI_P, MA_QA_METRIC_LOCAL_TYPE_CONTACT_PROBABILITY, MA_QA_METRIC_LOCAL_TYPE_DISTANCE, MA_QA_METRIC_LOCAL_TYPE_ENERGY, MA_QA_METRIC_LOCAL_TYPE_IPTM, MA_QA_METRIC_LOCAL_TYPE_NORMALIZED_SCORE, MA_QA_METRIC_LOCAL_TYPE_OTHER, MA_QA_METRIC_LOCAL_TYPE_PAE, MA_QA_METRIC_LOCAL_TYPE_PLDDT, MA_QA_METRIC_LOCAL_TYPE_PLDDT_ALL-ATOM, MA_QA_METRIC_LOCAL_TYPE_PLDDT_ALL-ATOM_[0,1], MA_QA_METRIC_LOCAL_TYPE_PLDDT_[0,1], MA_QA_METRIC_LOCAL_TYPE_PTM, MA_QA_METRIC_LOCAL_TYPE_ZSCORE, MEMBRANE_SEGMENT, MOGUL_ANGLE_OUTLIER, MOGUL_BOND_OUTLIER, N-GLYCOSYLATION_SITE, O-GLYCOSYLATION_SITE, RAMACHANDRAN_OUTLIER, ROTAMER_OUTLIER, RSCC_OUTLIER, RSRZ_OUTLIER, S-GLYCOSYLATION_SITE, SABDAB_ANTIBODY_HEAVY_CHAIN_SUBCLASS, SABDAB_ANTIBODY_LIGHT_CHAIN_SUBCLASS, SABDAB_ANTIBODY_LIGHT_CHAIN_TYPE, SCOP, SCOP2B_SUPERFAMILY, SCOP2_FAMILY, SCOP2_SUPERFAMILY, SHEET, STEREO_OUTLIER, STRN, TURN_TY1_P, UNASSIGNED_SEC_STRUCT, UNOBSERVED_ATOM_XYZ, UNOBSERVED_RESIDUE_XYZ, ZERO_OCCUPANCY_ATOM_XYZ, ZERO_OCCUPANCY_RESIDUE_XYZ
+   * ANGLE_OUTLIER, BINDING_SITE, BOND_OUTLIER, C-MANNOSYLATION_SITE, CATH, CIS-PEPTIDE, ECOD, HELIX_P, MEMBRANE_SEGMENT, MOGUL_ANGLE_OUTLIER, MOGUL_BOND_OUTLIER, N-GLYCOSYLATION_SITE, O-GLYCOSYLATION_SITE, RAMACHANDRAN_OUTLIER, ROTAMER_OUTLIER, RSCC_OUTLIER, RSRZ_OUTLIER, S-GLYCOSYLATION_SITE, SABDAB_ANTIBODY_HEAVY_CHAIN_SUBCLASS, SABDAB_ANTIBODY_LIGHT_CHAIN_SUBCLASS, SABDAB_ANTIBODY_LIGHT_CHAIN_TYPE, SAbDab Antibody Heavy Chain Subclass, SAbDab Antibody Light Chain Subclass, SAbDab Antibody Light Chain Type, SCOP, SCOP2 Family, SCOP2 Superfamily, SCOP2B Superfamily, SCOP2B_SUPERFAMILY, SCOP2_FAMILY, SCOP2_SUPERFAMILY, SHEET, STEREO_OUTLIER, UNASSIGNED_SEC_STRUCT, UNOBSERVED_ATOM_XYZ, UNOBSERVED_RESIDUE_XYZ, ZERO_OCCUPANCY_ATOM_XYZ, ZERO_OCCUPANCY_RESIDUE_XYZ
   *
   */
  readonly type?: Maybe<Scalars['String']>;
@@ -13514,11 +13377,6 @@ export type ReflnsShell = {
 };

 export type Software = {
-  /**
-   * This data item is a pointer to _citation.id in the CITATION
-   *  category.
-   */
-  readonly citation_id?: Maybe<Scalars['String']>;
  /**
   * The classification of the program according to its
   *  major function.
@@ -13669,37 +13527,6 @@ export type Struct = {
  readonly title?: Maybe<Scalars['String']>;
 };

-export type StructAsym = {
-  /**
-   * This data item is a pointer to _atom_site.pdbx_PDB_strand_id the
-   *  ATOM_SITE category.
-   *
-   * Examples:
-   * 1ABC
-   *
-   */
-  readonly pdbx_PDB_id?: Maybe<Scalars['String']>;
-  /**
-   * This data item is a pointer to _atom_site.ndb_alias_strand_id the
-   *  ATOM_SITE category.
-   */
-  readonly pdbx_alt_id?: Maybe<Scalars['String']>;
-  /**
-   * This data item gives the order of the structural elements in the
-   *  ATOM_SITE category.
-   */
-  readonly pdbx_order?: Maybe<Scalars['Int']>;
-  /**
-   * This data item describes the general type of the structural elements
-   *  in the ATOM_SITE category.
-   *
-   * Allowable values:
-   * ATOMN, ATOMP, ATOMS, HETAC, HETAD, HETAI, HETAIN, HETAS, HETIC
-   *
-   */
-  readonly pdbx_type?: Maybe<Scalars['String']>;
-};
-
 export type StructKeywords = {
  /**
   * Terms characterizing the macromolecular structure.
--- a/src/mol-canvas3d/canvas3d.ts
+++ b/src/mol-canvas3d/canvas3d.ts
@@ -120,7 +120,6 @@ interface Canvas3DContext {

 namespace Canvas3DContext {
    export const DefaultAttribs = {
-        powerPreference: 'high-performance' as WebGLContextAttributes['powerPreference'],
        failIfMajorPerformanceCaveat: false,
        /** true by default to avoid issues with Safari (Jan 2021) */
        antialias: true,
@@ -141,9 +140,8 @@ namespace Canvas3DContext {

        if (a.enableWboit && a.enableDpoit) throw new Error('Multiple transparency methods not allowed.');

-        const { powerPreference, failIfMajorPerformanceCaveat, antialias, preserveDrawingBuffer, pixelScale, preferWebGl1 } = a;
+        const { failIfMajorPerformanceCaveat, antialias, preserveDrawingBuffer, pixelScale, preferWebGl1 } = a;
        const gl = getGLContext(canvas, {
-            powerPreference,
            failIfMajorPerformanceCaveat,
            antialias,
            preserveDrawingBuffer,
--- a/src/mol-canvas3d/passes/draw.ts
+++ b/src/mol-canvas3d/passes/draw.ts
@@ -150,7 +150,7 @@ export class DrawPass {
                }
            }

-            this.postprocessing.render(camera, false, transparentBackground, renderer.props.backgroundColor, postprocessingProps, renderer.light);
+            this.postprocessing.render(camera, false, transparentBackground, renderer.props.backgroundColor, postprocessingProps);
        }

        this.depthTextureOpaque.detachFramebuffer(this.colorTarget.framebuffer, 'depth');
@@ -204,7 +204,7 @@ export class DrawPass {
                }
            }

-            this.postprocessing.render(camera, false, transparentBackground, renderer.props.backgroundColor, postprocessingProps, renderer.light);
+            this.postprocessing.render(camera, false, transparentBackground, renderer.props.backgroundColor, postprocessingProps);
        }

        // render transparent primitives and volumes
@@ -268,7 +268,7 @@ export class DrawPass {
                    }
                }

-                this.postprocessing.render(camera, false, transparentBackground, renderer.props.backgroundColor, postprocessingProps, renderer.light);
+                this.postprocessing.render(camera, false, transparentBackground, renderer.props.backgroundColor, postprocessingProps);

                if (!this.packedDepth) {
                    this.depthTextureOpaque.attachFramebuffer(this.postprocessing.target.framebuffer, 'depth');
--- a/src/mol-canvas3d/passes/postprocessing.ts
+++ b/src/mol-canvas3d/passes/postprocessing.ts
@@ -3,7 +3,6 @@
 *
 * @author Alexander Rose <alexander.rose@weirdbyte.de>
 * @author Áron Samuel Kovács <aron.kovacs@mail.muni.cz>
- * @author Ludovic Autin <ludovic.autin@gmail.com>
 */

 import { CopyRenderable, createCopyRenderable, QuadSchema, QuadValues } from '../../mol-gl/compute/util';
@@ -31,8 +30,6 @@ import { SmaaParams, SmaaPass } from './smaa';
 import { isTimingMode } from '../../mol-util/debug';
 import { BackgroundParams, BackgroundPass } from './background';
 import { AssetManager } from '../../mol-util/assets';
-import { Light } from '../../mol-gl/renderer';
-import { shadows_frag } from '../../mol-gl/shader/shadows.frag';

 const OutlinesSchema = {
    ...QuadSchema,
@@ -72,64 +69,6 @@ function getOutlinesRenderable(ctx: WebGLContext, depthTextureOpaque: Texture, d
    return createComputeRenderable(renderItem, values);
 }

-const ShadowsSchema = {
-    ...QuadSchema,
-    tDepth: TextureSpec('texture', 'rgba', 'ubyte', 'nearest'),
-    uTexSize: UniformSpec('v2'),
-
-    uProjection: UniformSpec('m4'),
-    uInvProjection: UniformSpec('m4'),
-    uBounds: UniformSpec('v4'),
-
-    dOrthographic: DefineSpec('number'),
-    uNear: UniformSpec('f'),
-    uFar: UniformSpec('f'),
-
-    dSteps: DefineSpec('number'),
-    uMaxDistance: UniformSpec('f'),
-    uTolerance: UniformSpec('f'),
-    uBias: UniformSpec('f'),
-
-    uLightDirection: UniformSpec('v3[]'),
-    uLightColor: UniformSpec('v3[]'),
-    dLightCount: DefineSpec('number'),
-};
-type ShadowsRenderable = ComputeRenderable<Values<typeof ShadowsSchema>>
-
-function getShadowsRenderable(ctx: WebGLContext, depthTexture: Texture): ShadowsRenderable {
-    const width = depthTexture.getWidth();
-    const height = depthTexture.getHeight();
-
-    const values: Values<typeof ShadowsSchema> = {
-        ...QuadValues,
-        tDepth: ValueCell.create(depthTexture),
-        uTexSize: ValueCell.create(Vec2.create(width, height)),
-
-        uProjection: ValueCell.create(Mat4.identity()),
-        uInvProjection: ValueCell.create(Mat4.identity()),
-        uBounds: ValueCell.create(Vec4()),
-
-        dOrthographic: ValueCell.create(0),
-        uNear: ValueCell.create(1),
-        uFar: ValueCell.create(10000),
-
-        dSteps: ValueCell.create(1),
-        uMaxDistance: ValueCell.create(3.0),
-        uTolerance: ValueCell.create(1.0),
-        uBias: ValueCell.create(0.6),
-
-        uLightDirection: ValueCell.create([]),
-        uLightColor: ValueCell.create([]),
-        dLightCount: ValueCell.create(0),
-    };
-
-    const schema = { ...ShadowsSchema };
-    const shaderCode = ShaderCode('shadows', quad_vert, shadows_frag);
-    const renderItem = createComputeRenderItem(ctx, 'triangles', shaderCode, schema, values);
-
-    return createComputeRenderable(renderItem, values);
-}
-
 const SsaoSchema = {
    ...QuadSchema,
    tDepth: TextureSpec('texture', 'rgba', 'ubyte', 'nearest'),
@@ -265,7 +204,6 @@ const PostprocessingSchema = {
    tColor: TextureSpec('texture', 'rgba', 'ubyte', 'nearest'),
    tDepthOpaque: TextureSpec('texture', 'rgba', 'ubyte', 'nearest'),
    tDepthTransparent: TextureSpec('texture', 'rgba', 'ubyte', 'nearest'),
-    tShadows: TextureSpec('texture', 'rgba', 'ubyte', 'nearest'),
    tOutlines: TextureSpec('texture', 'rgba', 'ubyte', 'nearest'),
    uTexSize: UniformSpec('v2'),

@@ -283,22 +221,19 @@ const PostprocessingSchema = {
    dOcclusionEnable: DefineSpec('boolean'),
    uOcclusionOffset: UniformSpec('v2'),

-    dShadowEnable: DefineSpec('boolean'),
-
    dOutlineEnable: DefineSpec('boolean'),
    dOutlineScale: DefineSpec('number'),
    uOutlineThreshold: UniformSpec('f'),
 };
 type PostprocessingRenderable = ComputeRenderable<Values<typeof PostprocessingSchema>>

-function getPostprocessingRenderable(ctx: WebGLContext, colorTexture: Texture, depthTextureOpaque: Texture, depthTextureTransparent: Texture, shadowsTexture: Texture, outlinesTexture: Texture, ssaoDepthTexture: Texture): PostprocessingRenderable {
+function getPostprocessingRenderable(ctx: WebGLContext, colorTexture: Texture, depthTextureOpaque: Texture, depthTextureTransparent: Texture, outlinesTexture: Texture, ssaoDepthTexture: Texture): PostprocessingRenderable {
    const values: Values<typeof PostprocessingSchema> = {
        ...QuadValues,
        tSsaoDepth: ValueCell.create(ssaoDepthTexture),
        tColor: ValueCell.create(colorTexture),
        tDepthOpaque: ValueCell.create(depthTextureOpaque),
        tDepthTransparent: ValueCell.create(depthTextureTransparent),
-        tShadows: ValueCell.create(shadowsTexture),
        tOutlines: ValueCell.create(outlinesTexture),
        uTexSize: ValueCell.create(Vec2.create(colorTexture.getWidth(), colorTexture.getHeight())),

@@ -316,8 +251,6 @@ function getPostprocessingRenderable(ctx: WebGLContext, colorTexture: Texture, d
        dOcclusionEnable: ValueCell.create(true),
        uOcclusionOffset: ValueCell.create(Vec2.create(0, 0)),

-        dShadowEnable: ValueCell.create(false),
-
        dOutlineEnable: ValueCell.create(false),
        dOutlineScale: ValueCell.create(1),
        uOutlineThreshold: ValueCell.create(0.33),
@@ -341,15 +274,6 @@ export const PostprocessingParams = {
        }),
        off: PD.Group({})
    }, { cycle: true, description: 'Darken occluded crevices with the ambient occlusion effect' }),
-    shadow: PD.MappedStatic('off', {
-        on: PD.Group({
-            steps: PD.Numeric(1, { min: 1, max: 64, step: 1 }),
-            bias: PD.Numeric(0.6, { min: 0.0, max: 1.0, step: 0.01 }),
-            maxDistance: PD.Numeric(3, { min: 0, max: 256, step: 1 }),
-            tolerance: PD.Numeric(1.0, { min: 0.0, max: 10.0, step: 0.1 }),
-        }),
-        off: PD.Group({})
-    }, { cycle: true, description: 'Simplistic shadows' }),
    outline: PD.MappedStatic('off', {
        on: PD.Group({
            scale: PD.Numeric(1, { min: 1, max: 5, step: 1 }),
@@ -365,12 +289,11 @@ export const PostprocessingParams = {
    }, { options: [['fxaa', 'FXAA'], ['smaa', 'SMAA'], ['off', 'Off']], description: 'Smooth pixel edges' }),
    background: PD.Group(BackgroundParams, { isFlat: true }),
 };
-
 export type PostprocessingProps = PD.Values<typeof PostprocessingParams>

 export class PostprocessingPass {
    static isEnabled(props: PostprocessingProps) {
-        return props.occlusion.name === 'on' || props.shadow.name === 'on' || props.outline.name === 'on' || props.background.variant.name !== 'off';
+        return props.occlusion.name === 'on' || props.outline.name === 'on' || props.background.variant.name !== 'off';
    }

    static isOutlineEnabled(props: PostprocessingProps) {
@@ -382,9 +305,6 @@ export class PostprocessingPass {
    private readonly outlinesTarget: RenderTarget;
    private readonly outlinesRenderable: OutlinesRenderable;

-    private readonly shadowsTarget: RenderTarget;
-    private readonly shadowsRenderable: ShadowsRenderable;
-
    private readonly ssaoFramebuffer: Framebuffer;
    private readonly ssaoBlurFirstPassFramebuffer: Framebuffer;
    private readonly ssaoBlurSecondPassFramebuffer: Framebuffer;
@@ -430,9 +350,6 @@ export class PostprocessingPass {
        this.outlinesTarget = webgl.createRenderTarget(width, height, false);
        this.outlinesRenderable = getOutlinesRenderable(webgl, depthTextureOpaque, depthTextureTransparent);

-        this.shadowsTarget = webgl.createRenderTarget(width, height, false);
-        this.shadowsRenderable = getShadowsRenderable(webgl, depthTextureOpaque);
-
        this.ssaoFramebuffer = webgl.resources.framebuffer();
        this.ssaoBlurFirstPassFramebuffer = webgl.resources.framebuffer();
        this.ssaoBlurSecondPassFramebuffer = webgl.resources.framebuffer();
@@ -456,7 +373,7 @@ export class PostprocessingPass {
        this.ssaoRenderable = getSsaoRenderable(webgl, this.downsampleFactor === 1 ? depthTextureOpaque : this.downsampledDepthTarget.texture);
        this.ssaoBlurFirstPassRenderable = getSsaoBlurRenderable(webgl, this.ssaoDepthTexture, 'horizontal');
        this.ssaoBlurSecondPassRenderable = getSsaoBlurRenderable(webgl, this.ssaoDepthBlurProxyTexture, 'vertical');
-        this.renderable = getPostprocessingRenderable(webgl, colorTarget.texture, depthTextureOpaque, depthTextureTransparent, this.shadowsTarget.texture, this.outlinesTarget.texture, this.ssaoDepthTexture);
+        this.renderable = getPostprocessingRenderable(webgl, colorTarget.texture, depthTextureOpaque, depthTextureTransparent, this.outlinesTarget.texture, this.ssaoDepthTexture);

        this.background = new BackgroundPass(webgl, assetManager, width, height);
    }
@@ -472,14 +389,12 @@ export class PostprocessingPass {
            const sh = Math.floor(height * this.ssaoScale);
            this.target.setSize(width, height);
            this.outlinesTarget.setSize(width, height);
-            this.shadowsTarget.setSize(width, height);
            this.downsampledDepthTarget.setSize(sw, sh);
            this.ssaoDepthTexture.define(sw, sh);
            this.ssaoDepthBlurProxyTexture.define(sw, sh);

            ValueCell.update(this.renderable.values.uTexSize, Vec2.set(this.renderable.values.uTexSize.ref.value, width, height));
            ValueCell.update(this.outlinesRenderable.values.uTexSize, Vec2.set(this.outlinesRenderable.values.uTexSize.ref.value, width, height));
-            ValueCell.update(this.shadowsRenderable.values.uTexSize, Vec2.set(this.shadowsRenderable.values.uTexSize.ref.value, width, height));
            ValueCell.update(this.downsampleDepthRenderable.values.uTexSize, Vec2.set(this.downsampleDepthRenderable.values.uTexSize.ref.value, sw, sh));
            ValueCell.update(this.ssaoRenderable.values.uTexSize, Vec2.set(this.ssaoRenderable.values.uTexSize.ref.value, sw, sh));
            ValueCell.update(this.ssaoBlurFirstPassRenderable.values.uTexSize, Vec2.set(this.ssaoBlurFirstPassRenderable.values.uTexSize.ref.value, sw, sh));
@@ -489,28 +404,25 @@ export class PostprocessingPass {
        }
    }

-    private updateState(camera: ICamera, transparentBackground: boolean, backgroundColor: Color, props: PostprocessingProps, light: Light) {
-        let needsUpdateShadows = false;
+    private updateState(camera: ICamera, transparentBackground: boolean, backgroundColor: Color, props: PostprocessingProps) {
        let needsUpdateMain = false;
        let needsUpdateSsao = false;
        let needsUpdateSsaoBlur = false;

        const orthographic = camera.state.mode === 'orthographic' ? 1 : 0;
        const outlinesEnabled = props.outline.name === 'on';
-        const shadowsEnabled = props.shadow.name === 'on';
        const occlusionEnabled = props.occlusion.name === 'on';

        const invProjection = Mat4.identity();
        Mat4.invert(invProjection, camera.projection);

-        const [w, h] = this.renderable.values.uTexSize.ref.value;
-        const v = camera.viewport;
-
        if (props.occlusion.name === 'on') {
            ValueCell.update(this.ssaoRenderable.values.uProjection, camera.projection);
            ValueCell.update(this.ssaoRenderable.values.uInvProjection, invProjection);

+            const [w, h] = this.renderable.values.uTexSize.ref.value;
            const b = this.ssaoRenderable.values.uBounds;
+            const v = camera.viewport;
            const s = this.ssaoScale;
            Vec4.set(b.ref.value,
                Math.floor(v.x * s) / (w * s),
@@ -582,38 +494,6 @@ export class PostprocessingPass {
            }
        }

-        if (props.shadow.name === 'on') {
-            ValueCell.update(this.shadowsRenderable.values.uProjection, camera.projection);
-            ValueCell.update(this.shadowsRenderable.values.uInvProjection, invProjection);
-
-            Vec4.set(this.shadowsRenderable.values.uBounds.ref.value,
-                v.x / w,
-                v.y / h,
-                (v.x + v.width) / w,
-                (v.y + v.height) / h
-            );
-            ValueCell.update(this.shadowsRenderable.values.uBounds, this.shadowsRenderable.values.uBounds.ref.value);
-
-            ValueCell.updateIfChanged(this.shadowsRenderable.values.uNear, camera.near);
-            ValueCell.updateIfChanged(this.shadowsRenderable.values.uFar, camera.far);
-            ValueCell.updateIfChanged(this.shadowsRenderable.values.dOrthographic, orthographic);
-
-            ValueCell.updateIfChanged(this.shadowsRenderable.values.uMaxDistance, props.shadow.params.maxDistance);
-            ValueCell.updateIfChanged(this.shadowsRenderable.values.uTolerance, props.shadow.params.tolerance);
-            ValueCell.updateIfChanged(this.shadowsRenderable.values.uBias, props.shadow.params.bias);
-            if (this.shadowsRenderable.values.dSteps.ref.value !== props.shadow.params.steps) {
-                ValueCell.update(this.shadowsRenderable.values.dSteps, props.shadow.params.steps);
-                needsUpdateShadows = true;
-            }
-
-            ValueCell.update(this.shadowsRenderable.values.uLightDirection, light.direction);
-            ValueCell.update(this.shadowsRenderable.values.uLightColor, light.color);
-            if (this.shadowsRenderable.values.dLightCount.ref.value !== light.count) {
-                ValueCell.update(this.shadowsRenderable.values.dLightCount, light.count);
-                needsUpdateShadows = true;
-            }
-        }
-
        if (props.outline.name === 'on') {
            let { threshold } = props.outline.params;
            // orthographic needs lower threshold
@@ -642,18 +522,11 @@ export class PostprocessingPass {
        ValueCell.updateIfChanged(this.renderable.values.uTransparentBackground, transparentBackground);
        if (this.renderable.values.dOrthographic.ref.value !== orthographic) { needsUpdateMain = true; }
        ValueCell.updateIfChanged(this.renderable.values.dOrthographic, orthographic);
-
        if (this.renderable.values.dOutlineEnable.ref.value !== outlinesEnabled) { needsUpdateMain = true; }
        ValueCell.updateIfChanged(this.renderable.values.dOutlineEnable, outlinesEnabled);
-        if (this.renderable.values.dShadowEnable.ref.value !== shadowsEnabled) { needsUpdateMain = true; }
-        ValueCell.updateIfChanged(this.renderable.values.dShadowEnable, shadowsEnabled);
        if (this.renderable.values.dOcclusionEnable.ref.value !== occlusionEnabled) { needsUpdateMain = true; }
        ValueCell.updateIfChanged(this.renderable.values.dOcclusionEnable, occlusionEnabled);

-        if (needsUpdateShadows) {
-            this.shadowsRenderable.update();
-        }
-
        if (needsUpdateSsao) {
            this.ssaoRenderable.update();
        }
@@ -691,20 +564,15 @@ export class PostprocessingPass {
        this.transparentBackground = value;
    }

-    render(camera: ICamera, toDrawingBuffer: boolean, transparentBackground: boolean, backgroundColor: Color, props: PostprocessingProps, light: Light) {
+    render(camera: ICamera, toDrawingBuffer: boolean, transparentBackground: boolean, backgroundColor: Color, props: PostprocessingProps) {
        if (isTimingMode) this.webgl.timer.mark('PostprocessingPass.render');
-        this.updateState(camera, transparentBackground, backgroundColor, props, light);
+        this.updateState(camera, transparentBackground, backgroundColor, props);

        if (props.outline.name === 'on') {
            this.outlinesTarget.bind();
            this.outlinesRenderable.render();
        }

-        if (props.shadow.name === 'on') {
-            this.shadowsTarget.bind();
-            this.shadowsRenderable.render();
-        }
-
        // don't render occlusion if offset is given,
        // which will reuse the existing occlusion
        if (props.occlusion.name === 'on' && this.occlusionOffset[0] === 0 && this.occlusionOffset[1] === 0) {
--- a/src/mol-geo/geometry/overpaint-data.ts
+++ b/src/mol-geo/geometry/overpaint-data.ts
@@ -1,5 +1,5 @@
 /**
- * Copyright (c) 2019-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2019-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
 *
 * @author Alexander Rose <alexander.rose@weirdbyte.de>
 */
@@ -21,7 +21,6 @@ export type OverpaintData = {
    uOverpaintGridDim: ValueCell<Vec3>,
    uOverpaintGridTransform: ValueCell<Vec4>,
    dOverpaintType: ValueCell<string>,
-    uOverpaintStrength: ValueCell<number>,
 }

 export function applyOverpaintColor(array: Uint8Array, start: number, end: number, color: Color) {
@@ -55,7 +54,6 @@ export function createOverpaint(count: number, type: OverpaintType, overpaintDat
            uOverpaintGridDim: ValueCell.create(Vec3.create(1, 1, 1)),
            uOverpaintGridTransform: ValueCell.create(Vec4.create(0, 0, 0, 1)),
            dOverpaintType: ValueCell.create(type),
-            uOverpaintStrength: ValueCell.create(1),
        };
    }
 }
@@ -76,7 +74,6 @@ export function createEmptyOverpaint(overpaintData?: OverpaintData): OverpaintDa
            uOverpaintGridDim: ValueCell.create(Vec3.create(1, 1, 1)),
            uOverpaintGridTransform: ValueCell.create(Vec4.create(0, 0, 0, 1)),
            dOverpaintType: ValueCell.create('groupInstance'),
-            uOverpaintStrength: ValueCell.create(1),
        };
    }
 }
--- a/src/mol-geo/geometry/substance-data.ts
+++ b/src/mol-geo/geometry/substance-data.ts
@@ -1,5 +1,5 @@
 /**
- * Copyright (c) 2021-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
 *
 * @author Alexander Rose <alexander.rose@weirdbyte.de>
 */
@@ -21,7 +21,6 @@ export type SubstanceData = {
    uSubstanceGridDim: ValueCell<Vec3>,
    uSubstanceGridTransform: ValueCell<Vec4>,
    dSubstanceType: ValueCell<string>,
-    uSubstanceStrength: ValueCell<number>,
 }

 export function applySubstanceMaterial(array: Uint8Array, start: number, end: number, material: Material) {
@@ -55,7 +54,6 @@ export function createSubstance(count: number, type: SubstanceType, substanceDat
            uSubstanceGridDim: ValueCell.create(Vec3.create(1, 1, 1)),
            uSubstanceGridTransform: ValueCell.create(Vec4.create(0, 0, 0, 1)),
            dSubstanceType: ValueCell.create(type),
-            uSubstanceStrength: ValueCell.create(1),
        };
    }
 }
@@ -76,7 +74,6 @@ export function createEmptySubstance(substanceData?: SubstanceData): SubstanceDa
            uSubstanceGridDim: ValueCell.create(Vec3.create(1, 1, 1)),
            uSubstanceGridTransform: ValueCell.create(Vec4.create(0, 0, 0, 1)),
            dSubstanceType: ValueCell.create('groupInstance'),
-            uSubstanceStrength: ValueCell.create(1),
        };
    }
 }
--- a/src/mol-geo/geometry/texture-mesh/texture-mesh.ts
+++ b/src/mol-geo/geometry/texture-mesh/texture-mesh.ts
@@ -7,7 +7,7 @@
 import { ValueCell } from '../../../mol-util';
 import { Sphere3D } from '../../../mol-math/geometry';
 import { ParamDefinition as PD } from '../../../mol-util/param-definition';
-import { LocationIterator, PositionLocation } from '../../../mol-geo/util/location-iterator';
+import { LocationIterator } from '../../../mol-geo/util/location-iterator';
 import { TransformData } from '../transform-data';
 import { createColors } from '../color-data';
 import { createMarkers } from '../marker-data';
@@ -20,12 +20,11 @@ import { createEmptyTransparency } from '../transparency-data';
 import { TextureMeshValues } from '../../../mol-gl/renderable/texture-mesh';
 import { calculateTransformBoundingSphere } from '../../../mol-gl/renderable/util';
 import { createNullTexture, Texture } from '../../../mol-gl/webgl/texture';
-import { Vec2, Vec3, Vec4 } from '../../../mol-math/linear-algebra';
+import { Vec2, Vec4 } from '../../../mol-math/linear-algebra';
 import { createEmptyClipping } from '../clipping-data';
 import { NullLocation } from '../../../mol-model/location';
 import { createEmptySubstance } from '../substance-data';
 import { RenderableState } from '../../../mol-gl/renderable';
-import { WebGLContext } from '../../../mol-gl/webgl/context';

 export interface TextureMesh {
    readonly kind: 'texture-mesh',
@@ -44,10 +43,7 @@ export interface TextureMesh {

    readonly boundingSphere: Sphere3D

-    readonly meta: {
-        webgl?: WebGLContext
-        [k: string]: unknown
-    }
+    readonly meta: { [k: string]: unknown }
 }

 export namespace TextureMesh {
@@ -135,42 +131,9 @@ export namespace TextureMesh {
        updateBoundingSphere,
        createRenderableState,
        updateRenderableState,
-        createPositionIterator,
+        createPositionIterator: () => LocationIterator(1, 1, 1, () => NullLocation)
    };

-    const TextureMeshName = 'texture-mesh';
-
-    function createPositionIterator(textureMesh: TextureMesh, transform: TransformData): LocationIterator {
-        const webgl = textureMesh.meta.webgl;
-        if (!webgl) return LocationIterator(1, 1, 1, () => NullLocation);
-
-        if (!webgl.namedFramebuffers[TextureMeshName]) {
-            webgl.namedFramebuffers[TextureMeshName] = webgl.resources.framebuffer();
-        }
-        const framebuffer = webgl.namedFramebuffers[TextureMeshName];
-        const [width, height] = textureMesh.geoTextureDim.ref.value;
-        const vertices = new Float32Array(width * height * 4);
-        framebuffer.bind();
-        textureMesh.vertexTexture.ref.value.attachFramebuffer(framebuffer, 0);
-        webgl.readPixels(0, 0, width, height, vertices);
-
-        const groupCount = textureMesh.vertexCount;
-        const instanceCount = transform.instanceCount.ref.value;
-        const location = PositionLocation();
-        const p = location.position;
-        const v = vertices;
-        const m = transform.aTransform.ref.value;
-        const getLocation = (groupIndex: number, instanceIndex: number) => {
-            if (instanceIndex < 0) {
-                Vec3.fromArray(p, v, groupIndex * 4);
-            } else {
-                Vec3.transformMat4Offset(p, v, m, 0, groupIndex * 4, instanceIndex * 16);
-            }
-            return location;
-        };
-        return LocationIterator(groupCount, instanceCount, 1, getLocation);
-    }
-
    function createValues(textureMesh: TextureMesh, transform: TransformData, locationIt: LocationIterator, theme: Theme, props: PD.Values<Params>): TextureMeshValues {
        const { instanceCount, groupCount } = locationIt;
        const positionIt = Utils.createPositionIterator(textureMesh, transform);
--- a/src/mol-geo/geometry/transparency-data.ts
+++ b/src/mol-geo/geometry/transparency-data.ts
@@ -21,7 +21,6 @@ export type TransparencyData = {
    uTransparencyGridDim: ValueCell<Vec3>,
    uTransparencyGridTransform: ValueCell<Vec4>,
    dTransparencyType: ValueCell<string>,
-    uTransparencyStrength: ValueCell<number>,
 }

 export function applyTransparencyValue(array: Uint8Array, start: number, end: number, value: number) {
@@ -64,7 +63,6 @@ export function createTransparency(count: number, type: TransparencyType, transp
            uTransparencyGridDim: ValueCell.create(Vec3.create(1, 1, 1)),
            uTransparencyGridTransform: ValueCell.create(Vec4.create(0, 0, 0, 1)),
            dTransparencyType: ValueCell.create(type),
-            uTransparencyStrength: ValueCell.create(1),
        };
    }
 }
@@ -86,7 +84,6 @@ export function createEmptyTransparency(transparencyData?: TransparencyData): Tr
            uTransparencyGridDim: ValueCell.create(Vec3.create(1, 1, 1)),
            uTransparencyGridTransform: ValueCell.create(Vec4.create(0, 0, 0, 1)),
            dTransparencyType: ValueCell.create('groupInstance'),
-            uTransparencyStrength: ValueCell.create(1),
        };
    }
 }
--- a/src/mol-gl/renderable/schema.ts
+++ b/src/mol-gl/renderable/schema.ts
@@ -229,7 +229,6 @@ export const OverpaintSchema = {
    uOverpaintGridTransform: UniformSpec('v4'),
    tOverpaintGrid: TextureSpec('texture', 'rgba', 'ubyte', 'linear'),
    dOverpaintType: DefineSpec('string', ['instance', 'groupInstance', 'volumeInstance']),
-    uOverpaintStrength: UniformSpec('f', 'material'),
 } as const;
 export type OverpaintSchema = typeof OverpaintSchema
 export type OverpaintValues = Values<OverpaintSchema>
@@ -243,8 +242,7 @@ export const TransparencySchema = {
    uTransparencyGridDim: UniformSpec('v3'),
    uTransparencyGridTransform: UniformSpec('v4'),
    tTransparencyGrid: TextureSpec('texture', 'alpha', 'ubyte', 'linear'),
-    dTransparencyType: DefineSpec('string', ['instance', 'groupInstance', 'volumeInstance']),
-    uTransparencyStrength: UniformSpec('f', 'material'),
+    dTransparencyType: DefineSpec('string', ['instance', 'groupInstance', 'volumeInstance'])
 } as const;
 export type TransparencySchema = typeof TransparencySchema
 export type TransparencyValues = Values<TransparencySchema>
@@ -258,7 +256,6 @@ export const SubstanceSchema = {
    uSubstanceGridTransform: UniformSpec('v4'),
    tSubstanceGrid: TextureSpec('texture', 'rgba', 'ubyte', 'linear'),
    dSubstanceType: DefineSpec('string', ['instance', 'groupInstance', 'volumeInstance']),
-    uSubstanceStrength: UniformSpec('f', 'material'),
 } as const;
 export type SubstanceSchema = typeof SubstanceSchema
 export type SubstanceValues = Values<SubstanceSchema>
--- a/src/mol-gl/renderer.ts
+++ b/src/mol-gl/renderer.ts
@@ -54,7 +54,6 @@ export const enum MarkingType {
 interface Renderer {
    readonly stats: RendererStats
    readonly props: Readonly<RendererProps>
-    readonly light: Readonly<Light>

    clear: (toBackgroundColor: boolean, ignoreTransparentBackground?: boolean) => void
    clearDepth: (packed?: boolean) => void
@@ -104,13 +103,13 @@ export const RendererParams = {
    xrayEdgeFalloff: PD.Numeric(1, { min: 0.0, max: 3.0, step: 0.1 }),

    light: PD.ObjectList({
-        inclination: PD.Numeric(150, { min: 0, max: 180, step: 1 }),
-        azimuth: PD.Numeric(320, { min: 0, max: 360, step: 1 }),
+        inclination: PD.Numeric(180, { min: 0, max: 180, step: 1 }),
+        azimuth: PD.Numeric(0, { min: 0, max: 360, step: 1 }),
        color: PD.Color(Color.fromNormalizedRgb(1.0, 1.0, 1.0)),
        intensity: PD.Numeric(0.6, { min: 0.0, max: 1.0, step: 0.01 }),
    }, o => Color.toHexString(o.color), { defaultValue: [{
-        inclination: 150,
-        azimuth: 320,
+        inclination: 180,
+        azimuth: 0,
        color: Color.fromNormalizedRgb(1.0, 1.0, 1.0),
        intensity: 0.6
    }] }),
@@ -119,7 +118,7 @@ export const RendererParams = {
 };
 export type RendererProps = PD.Values<typeof RendererParams>

-export type Light = {
+type Light = {
    count: number
    direction: number[]
    color: number[]
@@ -828,9 +827,6 @@ namespace Renderer {
                    instancedDrawCount: stats.instancedDrawCount,
                };
            },
-            get light(): Light {
-                return light;
-            },
            dispose: () => {
                // TODO
            }
--- a/src/mol-gl/shader/chunks/assign-color-varying.glsl.ts
+++ b/src/mol-gl/shader/chunks/assign-color-varying.glsl.ts
@@ -42,7 +42,6 @@ export const assign_color_varying = `
        #else
            vOverpaint.rgb = mix(vColor.rgb, vOverpaint.rgb, vOverpaint.a);
        #endif
-        vOverpaint *= uOverpaintStrength;
    #endif

    #ifdef dSubstance
@@ -59,7 +58,6 @@ export const assign_color_varying = `

        // pre-mix to avoid artifacts due to empty substance
        vSubstance.rgb = mix(vec3(uMetalness, uRoughness, uBumpiness), vSubstance.rgb, vSubstance.a);
-        vSubstance *= uSubstanceStrength;
    #endif
 #elif defined(dRenderVariant_pick)
    #ifdef requiredDrawBuffers
@@ -88,6 +86,5 @@ export const assign_color_varying = `
        vec3 tgridPos = (uTransparencyGridTransform.w * (vModelPosition - uTransparencyGridTransform.xyz)) / uTransparencyGridDim;
        vTransparency = texture3dFrom2dLinear(tTransparencyGrid, tgridPos, uTransparencyGridDim, uTransparencyTexDim).a;
    #endif
-    vTransparency *= uTransparencyStrength;
 #endif
 `;
--- a/src/mol-gl/shader/chunks/color-vert-params.glsl.ts
+++ b/src/mol-gl/shader/chunks/color-vert-params.glsl.ts
@@ -39,7 +39,6 @@ uniform float uBumpiness;
            uniform vec4 uOverpaintGridTransform;
            uniform sampler2D tOverpaintGrid;
        #endif
-        uniform float uOverpaintStrength;
    #endif

    #ifdef dSubstance
@@ -54,7 +53,6 @@ uniform float uBumpiness;
            uniform vec4 uSubstanceGridTransform;
            uniform sampler2D tSubstanceGrid;
        #endif
-        uniform float uSubstanceStrength;
    #endif
 #elif defined(dRenderVariant_pick)
    #if __VERSION__ == 100 || !defined(dVaryingGroup)
@@ -88,6 +86,5 @@ uniform float uBumpiness;
        uniform vec4 uTransparencyGridTransform;
        uniform sampler2D tTransparencyGrid;
    #endif
-    uniform float uTransparencyStrength;
 #endif
 `;
--- a/src/mol-gl/shader/direct-volume.frag.ts
+++ b/src/mol-gl/shader/direct-volume.frag.ts
@@ -270,16 +270,16 @@ vec4 raymarch(vec3 startLoc, vec3 step, vec3 rayDir) {
        #elif defined(dColorType_groupInstance)
            material.rgb = readFromTexture(tColor, vInstance * float(uGroupCount) + group, uColorTexDim).rgb;
        #elif defined(dColorType_vertex)
-            material.rgb = texture3dFrom1dTrilinear(tColor, unitPos, uGridDim, uColorTexDim, 0.0).rgb;
+            material.rgb = texture3dFrom1dTrilinear(tColor, isoPos, uGridDim, uColorTexDim, 0.0).rgb;
        #elif defined(dColorType_vertexInstance)
-            material.rgb = texture3dFrom1dTrilinear(tColor, unitPos, uGridDim, uColorTexDim, vInstance * float(uVertexCount)).rgb;
+            material.rgb = texture3dFrom1dTrilinear(tColor, isoPos, uGridDim, uColorTexDim, vInstance * float(uVertexCount)).rgb;
        #endif

        #ifdef dOverpaint
            #if defined(dOverpaintType_groupInstance)
                overpaint = readFromTexture(tOverpaint, vInstance * float(uGroupCount) + group, uOverpaintTexDim);
            #elif defined(dOverpaintType_vertexInstance)
-                overpaint = texture3dFrom1dTrilinear(tOverpaint, unitPos, uGridDim, uOverpaintTexDim, vInstance * float(uVertexCount));
+                overpaint = texture3dFrom1dTrilinear(tOverpaint, isoPos, uGridDim, uOverpaintTexDim, vInstance * float(uVertexCount));
            #endif

            material.rgb = mix(material.rgb, overpaint.rgb, overpaint.a);
--- a/src/mol-gl/shader/postprocessing.frag.ts
+++ b/src/mol-gl/shader/postprocessing.frag.ts
@@ -14,7 +14,6 @@ uniform sampler2D tSsaoDepth;
 uniform sampler2D tColor;
 uniform sampler2D tDepthOpaque;
 uniform sampler2D tDepthTransparent;
-uniform sampler2D tShadows;
 uniform sampler2D tOutlines;
 uniform vec2 uTexSize;

@@ -121,20 +120,7 @@ void main(void) {
        }
    #endif

-    #ifdef dShadowEnable
-        if (!isBackground(opaqueDepth)) {
-            viewDist = abs(getViewZ(opaqueDepth));
-            fogFactor = smoothstep(uFogNear, uFogFar, viewDist);
-            vec4 shadow = texture2D(tShadows, coords);
-            if (!uTransparentBackground) {
-                color.rgb = mix(mix(vec3(0), uFogColor, fogFactor), color.rgb, shadow.a);
-            } else {
-                color.rgb = mix(vec3(0) * (1.0 - fogFactor), color.rgb, shadow.a);
-            }
-        }
-    #endif
-
-    // outline needs to be handled after occlusion and shadow to keep them clean
+    // outline needs to be handled after occlusion to keep them clean
    #ifdef dOutlineEnable
        float closestTexel;
        float outline = getOutline(coords, opaqueDepth, closestTexel);
--- a/src/mol-gl/shader/shadows.frag.ts
+++ b/src/mol-gl/shader/shadows.frag.ts
@@ -1,131 +0,0 @@
-/**
- * Copyright (c) 2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
- *
- * @author Ludovic Autin <ludovic.autin@gmail.com>
- * @author Alexander Rose <alexander.rose@weirdbyte.de>
- */
-
-export const shadows_frag = `
-precision highp float;
-precision highp int;
-precision highp sampler2D;
-
-#include common
-
-uniform sampler2D tDepth;
-uniform vec2 uTexSize;
-uniform vec4 uBounds;
-
-uniform float uNear;
-uniform float uFar;
-
-#if dLightCount != 0
-    uniform vec3 uLightDirection[dLightCount];
-    uniform vec3 uLightColor[dLightCount];
-#endif
-
-uniform mat4 uProjection;
-uniform mat4 uInvProjection;
-
-uniform float uMaxDistance;
-uniform float uTolerance;
-uniform float uBias;
-
-bool isBackground(const in float depth) {
-    return depth == 1.0;
-}
-
-bool outsideBounds(const in vec2 p) {
-    return p.x < uBounds.x || p.y < uBounds.y || p.x > uBounds.z || p.y > uBounds.w;
-}
-
-float getViewZ(const in float depth) {
-    #if dOrthographic == 1
-        return orthographicDepthToViewZ(depth, uNear, uFar);
-    #else
-        return perspectiveDepthToViewZ(depth, uNear, uFar);
-    #endif
-}
-
-float getDepth(const in vec2 coords) {
-    #ifdef depthTextureSupport
-        return texture2D(tDepth, coords).r;
-    #else
-        return unpackRGBAToDepth(texture2D(tDepth, coords));
-    #endif
-}
-
-float screenFade(const in vec2 coords) {
-    vec2 c = (coords - uBounds.xy) / (uBounds.zw - uBounds.xy);
-    vec2 fade = max(12.0 * abs(c - 0.5) - 5.0, vec2(0.0));
-    return saturate(1.0 - dot(fade, fade));
-}
-
-// based on https://panoskarabelas.com/posts/screen_space_shadows/
-float screenSpaceShadow(const in vec3 position, const in vec3 lightDirection, const in float stepLength) {
-    // Ray position and direction (in view-space)
-    vec3 rayPos = position;
-    vec3 rayDir = -lightDirection;
-
-    // Compute ray step
-    vec3 rayStep = rayDir * stepLength;
-
-    // Ray march towards the light
-    float occlusion = 0.0;
-    vec4 rayCoords = vec4(0.0);
-    for (int i = 0; i < dSteps; ++i) {
-        // Step the ray
-        rayPos += rayStep;
-
-        rayCoords = uProjection * vec4(rayPos, 1.0);
-        rayCoords.xyz = (rayCoords.xyz / rayCoords.w) * 0.5 + 0.5;
-
-        if (outsideBounds(rayCoords.xy))
-            return 1.0;
-
-        // Compute the difference between the ray's and the camera's depth
-        float depth = getDepth(rayCoords.xy);
-        float viewZ = getViewZ(depth);
-        float zDelta = rayPos.z - viewZ;
-
-        if (zDelta < uTolerance) {
-            occlusion = 1.0;
-
-            // Fade out as we approach the edges of the screen
-            occlusion *= screenFade(rayCoords.xy);
-
-            break;
-        }
-    }
-
-    return 1.0 - (uBias * occlusion);
-}
-
-void main(void) {
-    vec2 invTexSize = 1.0 / uTexSize;
-    vec2 selfCoords = gl_FragCoord.xy * invTexSize;
-
-    float selfDepth = getDepth(selfCoords);
-
-    if (isBackground(selfDepth)) {
-        gl_FragColor = vec4(0.0);
-        return;
-    }
-
-    vec3 selfViewPos = screenSpaceToViewSpace(vec3(selfCoords, selfDepth), uInvProjection);
-    float stepLength = uMaxDistance / float(dSteps);
-
-    float o = 1.0;
-    #if dLightCount != 0
-        float sh[dLightCount];
-        #pragma unroll_loop_start
-        for (int i = 0; i < dLightCount; ++i) {
-            sh[i] = screenSpaceShadow(selfViewPos, uLightDirection[i], stepLength);
-            o = min(o, sh[i]);
-        }
-        #pragma unroll_loop_end
-    #endif
-
-    gl_FragColor = vec4(o);
-}
-`;
--- a/src/mol-gl/webgl/compat.ts
+++ b/src/mol-gl/webgl/compat.ts
@@ -19,9 +19,6 @@ export function isWebGL2(gl: any): gl is WebGL2RenderingContext {
    return typeof WebGL2RenderingContext !== 'undefined' && gl instanceof WebGL2RenderingContext;
 }

-/**
- * See https://registry.khronos.org/webgl/extensions/ANGLE_instanced_arrays/
- */
 export interface COMPAT_instanced_arrays {
    drawArraysInstanced(mode: number, first: number, count: number, primcount: number): void;
    drawElementsInstanced(mode: number, count: number, type: number, offset: number, primcount: number): void;
@@ -49,9 +46,6 @@ export function getInstancedArrays(gl: GLRenderingContext): COMPAT_instanced_arr
    }
 }

-/**
- * See https://registry.khronos.org/webgl/extensions/OES_standard_derivatives/
- */
 export interface COMPAT_standard_derivatives {
    readonly FRAGMENT_SHADER_DERIVATIVE_HINT: number;
 }
@@ -66,9 +60,6 @@ export function getStandardDerivatives(gl: GLRenderingContext): COMPAT_standard_
    }
 }

-/**
- * See https://registry.khronos.org/webgl/extensions/OES_element_index_uint/
- */
 export interface COMPAT_element_index_uint {
 }

@@ -76,9 +67,6 @@ export function getElementIndexUint(gl: GLRenderingContext): COMPAT_element_inde
    return isWebGL2(gl) ? {} : gl.getExtension('OES_element_index_uint');
 }

-/**
- * See https://registry.khronos.org/webgl/extensions/OES_vertex_array_object/
- */
 export interface COMPAT_vertex_array_object {
    readonly VERTEX_ARRAY_BINDING: number;
    bindVertexArray(arrayObject: WebGLVertexArrayObject | null): void;
@@ -144,9 +132,6 @@ export function getTextureHalfFloatLinear(gl: GLRenderingContext): COMPAT_textur
    return gl.getExtension('OES_texture_half_float_linear');
 }

-/**
- * See https://registry.khronos.org/webgl/extensions/EXT_blend_minmax/
- */
 export interface COMPAT_blend_minmax {
    readonly MIN: number
    readonly MAX: number
@@ -162,9 +147,6 @@ export function getBlendMinMax(gl: GLRenderingContext): COMPAT_blend_minmax | nu
    }
 }

-/**
- * See https://registry.khronos.org/webgl/extensions/EXT_frag_depth/
- */
 export interface COMPAT_frag_depth {
 }

@@ -214,9 +196,6 @@ export function getColorBufferHalfFloat(gl: GLRenderingContext): COMPAT_color_bu
    }
 }

-/**
- * See https://registry.khronos.org/webgl/extensions/WEBGL_draw_buffers/
- */
 export interface COMPAT_draw_buffers {
    drawBuffers(buffers: number[]): void;
    readonly COLOR_ATTACHMENT0: number;
@@ -289,73 +268,6 @@ export function getDrawBuffers(gl: GLRenderingContext): COMPAT_draw_buffers | nu
    }
 }

-/**
- * See https://registry.khronos.org/webgl/extensions/OES_draw_buffers_indexed/
- */
-export interface COMPAT_draw_buffers_indexed {
-    /**
-     * Enables blending for an individual draw buffer.
-     *
-     * @param target must be BLEND.
-     * @param index is an integer i specifying the draw buffer associated with the symbolic constant DRAW_BUFFERi.
-     */
-    enablei: (target: number, index: number) => void;
-    /**
-     * Disables  blending for an individual draw buffer.
-     *
-     * @param target must be BLEND.
-     * @param index is an integer i specifying the draw buffer associated with the symbolic constant DRAW_BUFFERi.
-     */
-    disablei: (buf: number, mode: number) => void;
-    /**
-     * The buf argument is an integer i that indicates that the blend equations should be modified for DRAW_BUFFERi.
-     *
-     * mode accepts the same tokens as mode in blendEquation.
-     */
-    blendEquationi: (target: number, index: number) => void;
-    /**
-     * The buf argument is an integer i that indicates that the blend equations should be modified for DRAW_BUFFERi.
-     *
-     * modeRGB and modeAlpha accept the same tokens as modeRGB and modeAlpha in blendEquationSeparate.
-     */
-    blendEquationSeparatei: (buf: number, modeRGB: number, modeAlpha: number) => void;
-    /**
-     * The buf argument is an integer i that indicates that the blend functions should be modified for DRAW_BUFFERi.
-     *
-     * src and dst accept the same tokens as src and dst in blendFunc.
-     */
-    blendFunci: (buf: number, src: number, dst: number) => void;
-    /**
-     * The buf argument is an integer i that indicates that the blend functions should be modified for DRAW_BUFFERi.
-     *
-     * srcRGB, dstRGB, srcAlpha, and dstAlpha accept the same tokens as srcRGB, dstRGB, srcAlpha, and dstAlpha parameters in blendEquationSeparate.
-     */
-    blendFuncSeparatei: (buf: number, srcRGB: number, dstRGB: number, srcAlpha: number, dstAlpha: number) => void;
-    /**
-     * The buf argument is an integer i that indicates that the write mask should be modified for DRAW_BUFFERi.
-     *
-     * r, g, b, and a indicate whether R, G, B, or A values, respectively, are written or not (a value of TRUE means that the corresponding value is written).
-     */
-    colorMaski: (buf: number, r: boolean, g: boolean, b: boolean, a: boolean) => void;
-}
-
-export function getDrawBuffersIndexed(gl: GLRenderingContext): COMPAT_draw_buffers_indexed | null {
-    const ext = gl.getExtension('OES_draw_buffers_indexed');
-    if (ext === null) return null;
-    return {
-        enablei: ext.enableiOES.bind(ext),
-        disablei: ext.disableiOES.bind(ext),
-        blendEquationi: ext.blendEquationiOES.bind(ext),
-        blendEquationSeparatei: ext.blendEquationSeparateiOES.bind(ext),
-        blendFunci: ext.blendFunciOES.bind(ext),
-        blendFuncSeparatei: ext.blendFuncSeparateiOES.bind(ext),
-        colorMaski: ext.colorMaskiOES.bind(ext),
-    };
-}
-
-/**
- * See https://registry.khronos.org/webgl/extensions/EXT_shader_texture_lod/
- */
 export interface COMPAT_shader_texture_lod {
 }

@@ -363,9 +275,6 @@ export function getShaderTextureLod(gl: GLRenderingContext): COMPAT_shader_textu
    return isWebGL2(gl) ? {} : gl.getExtension('EXT_shader_texture_lod');
 }

-/**
- * See https://registry.khronos.org/webgl/extensions/WEBGL_depth_texture/
- */
 export interface COMPAT_depth_texture {
    readonly UNSIGNED_INT_24_8: number;
 }
@@ -384,9 +293,6 @@ export function getDepthTexture(gl: GLRenderingContext): COMPAT_depth_texture |
    }
 }

-/**
- * See https://registry.khronos.org/webgl/extensions/EXT_sRGB/
- */
 export interface COMPAT_sRGB {
    readonly FRAMEBUFFER_ATTACHMENT_COLOR_ENCODING: number;
    readonly SRGB8_ALPHA8: number;
@@ -414,9 +320,6 @@ export function getSRGB(gl: GLRenderingContext): COMPAT_sRGB | null {
    }
 }

-/**
- * See https://registry.khronos.org/webgl/extensions/EXT_disjoint_timer_query/ and https://registry.khronos.org/webgl/extensions/EXT_disjoint_timer_query_webgl2/
- */
 export interface COMPAT_disjoint_timer_query {
    /** A GLint indicating the number of bits used to hold the query result for the given target. */
    QUERY_COUNTER_BITS: number
@@ -498,31 +401,6 @@ export function getDisjointTimerQuery(gl: GLRenderingContext): COMPAT_disjoint_t
    }
 }

-/**
- * See https://registry.khronos.org/webgl/extensions/KHR_parallel_shader_compile/
- */
-export interface COMPAT_parallel_shader_compile {
-    readonly COMPLETION_STATUS: number;
-}
-
-export function getParallelShaderCompile(gl: GLRenderingContext): COMPAT_parallel_shader_compile | null {
-    const ext = gl.getExtension('KHR_parallel_shader_compile');
-    if (ext === null) return null;
-    return {
-        COMPLETION_STATUS: ext.COMPLETION_STATUS_KHR,
-    };
-}
-
-/**
- * See https://registry.khronos.org/webgl/extensions/OES_fbo_render_mipmap/
- */
-export interface COMPAT_fboRenderMipmap {
-}
-
-export function getFboRenderMipmap(gl: GLRenderingContext): COMPAT_fboRenderMipmap | null {
-    return isWebGL2(gl) ? {} : gl.getExtension('OES_fbo_render_mipmap');
-}
-
 export function getNoNonInstancedActiveAttribs(gl: GLRenderingContext): boolean {
    if (!isWebGL2(gl)) return false;

--- a/src/mol-gl/webgl/extensions.ts
+++ b/src/mol-gl/webgl/extensions.ts
@@ -4,14 +4,14 @@
 * @author Alexander Rose <alexander.rose@weirdbyte.de>
 */

-import { GLRenderingContext, COMPAT_instanced_arrays, COMPAT_standard_derivatives, COMPAT_vertex_array_object, getInstancedArrays, getStandardDerivatives, COMPAT_element_index_uint, getElementIndexUint, COMPAT_texture_float, getTextureFloat, COMPAT_texture_float_linear, getTextureFloatLinear, COMPAT_blend_minmax, getBlendMinMax, getFragDepth, COMPAT_frag_depth, COMPAT_color_buffer_float, getColorBufferFloat, COMPAT_draw_buffers, getDrawBuffers, getShaderTextureLod, COMPAT_shader_texture_lod, getDepthTexture, COMPAT_depth_texture, COMPAT_sRGB, getSRGB, getTextureHalfFloat, getTextureHalfFloatLinear, COMPAT_texture_half_float, COMPAT_texture_half_float_linear, COMPAT_color_buffer_half_float, getColorBufferHalfFloat, getVertexArrayObject, getDisjointTimerQuery, COMPAT_disjoint_timer_query, getNoNonInstancedActiveAttribs, getDrawBuffersIndexed, COMPAT_draw_buffers_indexed, getParallelShaderCompile, COMPAT_parallel_shader_compile, getFboRenderMipmap, COMPAT_fboRenderMipmap } from './compat';
+import { GLRenderingContext, COMPAT_instanced_arrays, COMPAT_standard_derivatives, COMPAT_vertex_array_object, getInstancedArrays, getStandardDerivatives, COMPAT_element_index_uint, getElementIndexUint, COMPAT_texture_float, getTextureFloat, COMPAT_texture_float_linear, getTextureFloatLinear, COMPAT_blend_minmax, getBlendMinMax, getFragDepth, COMPAT_frag_depth, COMPAT_color_buffer_float, getColorBufferFloat, COMPAT_draw_buffers, getDrawBuffers, getShaderTextureLod, COMPAT_shader_texture_lod, getDepthTexture, COMPAT_depth_texture, COMPAT_sRGB, getSRGB, getTextureHalfFloat, getTextureHalfFloatLinear, COMPAT_texture_half_float, COMPAT_texture_half_float_linear, COMPAT_color_buffer_half_float, getColorBufferHalfFloat, getVertexArrayObject, getDisjointTimerQuery, COMPAT_disjoint_timer_query, getNoNonInstancedActiveAttribs } from './compat';
 import { isDebugMode } from '../../mol-util/debug';

 export type WebGLExtensions = {
    instancedArrays: COMPAT_instanced_arrays
    elementIndexUint: COMPAT_element_index_uint
-    standardDerivatives: COMPAT_standard_derivatives

+    standardDerivatives: COMPAT_standard_derivatives | null
    textureFloat: COMPAT_texture_float | null
    textureFloatLinear: COMPAT_texture_float_linear | null
    textureHalfFloat: COMPAT_texture_half_float | null
@@ -23,12 +23,9 @@ export type WebGLExtensions = {
    colorBufferFloat: COMPAT_color_buffer_float | null
    colorBufferHalfFloat: COMPAT_color_buffer_half_float | null
    drawBuffers: COMPAT_draw_buffers | null
-    drawBuffersIndexed: COMPAT_draw_buffers_indexed | null
    shaderTextureLod: COMPAT_shader_texture_lod | null
    sRGB: COMPAT_sRGB | null
    disjointTimerQuery: COMPAT_disjoint_timer_query | null
-    parallelShaderCompile: COMPAT_parallel_shader_compile | null
-    fboRenderMipmap: COMPAT_fboRenderMipmap | null

    noNonInstancedActiveAttribs: boolean
 }
@@ -97,10 +94,6 @@ export function createExtensions(gl: GLRenderingContext): WebGLExtensions {
    if (isDebugMode && drawBuffers === null) {
        console.log('Could not find support for "draw_buffers"');
    }
-    const drawBuffersIndexed = getDrawBuffersIndexed(gl);
-    if (isDebugMode && drawBuffersIndexed === null) {
-        console.log('Could not find support for "draw_buffers_indexed"');
-    }
    const shaderTextureLod = getShaderTextureLod(gl);
    if (isDebugMode && shaderTextureLod === null) {
        console.log('Could not find support for "shader_texture_lod"');
@@ -113,39 +106,28 @@ export function createExtensions(gl: GLRenderingContext): WebGLExtensions {
    if (isDebugMode && disjointTimerQuery === null) {
        console.log('Could not find support for "disjoint_timer_query"');
    }
-    const parallelShaderCompile = getParallelShaderCompile(gl);
-    if (isDebugMode && parallelShaderCompile === null) {
-        console.log('Could not find support for "parallel_shader_compile"');
-    }
-    const fboRenderMipmap = getFboRenderMipmap(gl);
-    if (isDebugMode && fboRenderMipmap === null) {
-        console.log('Could not find support for "fbo_render_mipmap"');
-    }

    const noNonInstancedActiveAttribs = getNoNonInstancedActiveAttribs(gl);

    return {
        instancedArrays,
        standardDerivatives,
-        elementIndexUint,
-
        textureFloat,
        textureFloatLinear,
        textureHalfFloat,
        textureHalfFloatLinear,
+        elementIndexUint,
        depthTexture,
+
        blendMinMax,
        vertexArrayObject,
        fragDepth,
        colorBufferFloat,
        colorBufferHalfFloat,
        drawBuffers,
-        drawBuffersIndexed,
        shaderTextureLod,
        sRGB,
        disjointTimerQuery,
-        parallelShaderCompile,
-        fboRenderMipmap,

        noNonInstancedActiveAttribs,
    };
--- a/src/mol-io/reader/cif/schema/bird.ts
+++ b/src/mol-io/reader/cif/schema/bird.ts
@@ -1,7 +1,7 @@
 /**
 * Copyright (c) 2017-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
 *
- * Code-generated 'BIRD' schema file. Dictionary versions: mmCIF 5.363, IHM 1.17, MA 1.4.3.
+ * Code-generated 'BIRD' schema file. Dictionary versions: mmCIF 5.362, IHM 1.17, MA 1.4.3.
 *
 * @author molstar/ciftools package
 */
--- a/src/mol-io/reader/cif/schema/ccd.ts
+++ b/src/mol-io/reader/cif/schema/ccd.ts
@@ -1,7 +1,7 @@
 /**
 * Copyright (c) 2017-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
 *
- * Code-generated 'CCD' schema file. Dictionary versions: mmCIF 5.363, IHM 1.17, MA 1.4.3.
+ * Code-generated 'CCD' schema file. Dictionary versions: mmCIF 5.362, IHM 1.17, MA 1.4.3.
 *
 * @author molstar/ciftools package
 */
--- a/src/mol-io/reader/cif/schema/mmcif.ts
+++ b/src/mol-io/reader/cif/schema/mmcif.ts
@@ -1,7 +1,7 @@
 /**
 * Copyright (c) 2017-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
 *
- * Code-generated 'mmCIF' schema file. Dictionary versions: mmCIF 5.363, IHM 1.17, MA 1.4.3.
+ * Code-generated 'mmCIF' schema file. Dictionary versions: mmCIF 5.362, IHM 1.17, MA 1.4.3.
 *
 * @author molstar/ciftools package
 */
--- a/src/mol-math/geometry/symmetry-operator.ts
+++ b/src/mol-math/geometry/symmetry-operator.ts
@@ -1,11 +1,11 @@
 /**
- * Copyright (c) 2017-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2017 mol* contributors, licensed under MIT, See LICENSE file for more info.
 *
 * @author David Sehnal <david.sehnal@gmail.com>
- * @author Alexander Rose <alexander.rose@weirdbyte.de>
 */

 import { lerp as scalar_lerp } from '../../mol-math/interpolate';
+import { defaults } from '../../mol-util';
 import { Mat3 } from '../linear-algebra/3d/mat3';
 import { Mat4 } from '../linear-algebra/3d/mat4';
 import { Quat } from '../linear-algebra/3d/quat';
@@ -29,13 +29,11 @@ interface SymmetryOperator {
    readonly hkl: Vec3,
    /** spacegroup symmetry operator index, -1 if not applicable */
    readonly spgrOp: number,
-    /** unique (external) key, -1 if not available */
-    readonly key: number,

    readonly matrix: Mat4,
-    /** cache the inverse of the transform */
+    // cache the inverse of the transform
    readonly inverse: Mat4,
-    /** optimize the identity case */
+    // optimize the identity case
    readonly isIdentity: boolean,

    /**
@@ -53,20 +51,19 @@ namespace SymmetryOperator {

    export const RotationTranslationEpsilon = 0.005;

-    export type CreateInfo = { assembly?: SymmetryOperator['assembly'], ncsId?: number, hkl?: Vec3, spgrOp?: number, key?: number }
+    export type CreateInfo = { assembly?: SymmetryOperator['assembly'], ncsId?: number, hkl?: Vec3, spgrOp?: number }
    export function create(name: string, matrix: Mat4, info?: CreateInfo | SymmetryOperator): SymmetryOperator {
-        let { assembly, ncsId, hkl, spgrOp, key } = info || { };
+        let { assembly, ncsId, hkl, spgrOp } = info || { };
        const _hkl = hkl ? Vec3.clone(hkl) : Vec3();
-        spgrOp = spgrOp ?? -1;
-        key = key ?? -1;
+        spgrOp = defaults(spgrOp, -1);
        ncsId = ncsId || -1;
        const isIdentity = Mat4.isIdentity(matrix);
        const suffix = getSuffix(info, isIdentity);
-        if (isIdentity) return { name, assembly, matrix, inverse: Mat4.identity(), isIdentity: true, hkl: _hkl, spgrOp, ncsId, suffix, key };
+        if (isIdentity) return { name, assembly, matrix, inverse: Mat4.identity(), isIdentity: true, hkl: _hkl, spgrOp, ncsId, suffix };
        if (!Mat4.isRotationAndTranslation(matrix, RotationTranslationEpsilon)) {
            console.warn(`Symmetry operator (${name}) should be a composition of rotation and translation.`);
        }
-        return { name, assembly, matrix, inverse: Mat4.invert(Mat4(), matrix), isIdentity: false, hkl: _hkl, spgrOp, key, ncsId, suffix };
+        return { name, assembly, matrix, inverse: Mat4.invert(Mat4(), matrix), isIdentity: false, hkl: _hkl, spgrOp, ncsId, suffix };
    }

    function isSymmetryOperator(x: any): x is SymmetryOperator {
--- a/src/mol-model-formats/structure/property/bonds/index-pair.ts
+++ b/src/mol-model-formats/structure/property/bonds/index-pair.ts
@@ -14,8 +14,6 @@ import { ElementIndex } from '../../../../mol-model/structure';

 export type IndexPairsProps = {
    readonly key: ArrayLike<number>
-    readonly operatorA: ArrayLike<number>
-    readonly operatorB: ArrayLike<number>
    readonly order: ArrayLike<number>
    readonly distance: ArrayLike<number>
    readonly flag: ArrayLike<BondType.Flag>
@@ -26,22 +24,18 @@ export type IndexPairBonds = { bonds: IndexPairs, maxDistance: number }
 function getGraph(indexA: ArrayLike<ElementIndex>, indexB: ArrayLike<ElementIndex>, props: Partial<IndexPairsProps>, count: number): IndexPairs {
    const builder = new IntAdjacencyGraph.EdgeBuilder(count, indexA, indexB);
    const key = new Int32Array(builder.slotCount);
-    const operatorA = new Array(builder.slotCount);
-    const operatorB = new Array(builder.slotCount);
    const order = new Int8Array(builder.slotCount);
    const distance = new Array(builder.slotCount);
    const flag = new Array(builder.slotCount);
    for (let i = 0, _i = builder.edgeCount; i < _i; i++) {
        builder.addNextEdge();
        builder.assignProperty(key, props.key ? props.key[i] : -1);
-        builder.assignProperty(operatorA, props.operatorA ? props.operatorA[i] : -1);
-        builder.assignProperty(operatorB, props.operatorB ? props.operatorB[i] : -1);
        builder.assignProperty(order, props.order ? props.order[i] : 1);
        builder.assignProperty(distance, props.distance ? props.distance[i] : -1);
        builder.assignProperty(flag, props.flag ? props.flag[i] : BondType.Flag.Covalent);
    }

-    return builder.createGraph({ key, operatorA, operatorB, order, distance, flag });
+    return builder.createGraph({ key, order, distance, flag });
 }

 export namespace IndexPairBonds {
@@ -56,10 +50,6 @@ export namespace IndexPairBonds {
            indexA: Column<number>,
            indexB: Column<number>,
            key?: Column<number>,
-            /** Operator key for indexA. Used in bond computation. */
-            operatorA?: Column<number>,
-            /** Operator key for indexB. Used in bond computation. */
-            operatorB?: Column<number>,
            order?: Column<number>,
            /**
             * Useful for bonds in periodic cells. That is, only bonds within the given
@@ -93,30 +83,12 @@ export namespace IndexPairBonds {
        const indexA = pairs.indexA.toArray() as ArrayLike<ElementIndex>;
        const indexB = pairs.indexB.toArray() as ArrayLike<ElementIndex>;
        const key = pairs.key && pairs.key.toArray();
-        const operatorA = pairs.operatorA && pairs.operatorA.toArray();
-        const operatorB = pairs.operatorB && pairs.operatorB.toArray();
        const order = pairs.order && pairs.order.toArray();
        const distance = pairs.distance && pairs.distance.toArray();
        const flag = pairs.flag && pairs.flag.toArray();
        return {
-            bonds: getGraph(indexA, indexB, { key, operatorA, operatorB, order, distance, flag }, count),
+            bonds: getGraph(indexA, indexB, { key, order, distance, flag }, count),
            maxDistance: p.maxDistance
        };
    }
-
-    /** Like `getEdgeIndex` but taking `edgeProps.operatorA` and `edgeProps.operatorB` into account */
-    export function getEdgeIndexForOperators(bonds: IndexPairs, i: ElementIndex, j: ElementIndex, opI: number, opJ: number): number {
-        let a, b, opA, opB;
-        if (i < j) {
-            a = i; b = j;
-            opA = opI; opB = opJ;
-        } else {
-            a = j; b = i;
-            opA = opJ; opB = opI;
-        }
-        for (let t = bonds.offset[a], _t = bonds.offset[a + 1]; t < _t; t++) {
-            if (bonds.b[t] === b && bonds.edgeProps.operatorA[t] === opA && bonds.edgeProps.operatorB[t] === opB) return t;
-        }
-        return -1;
-    }
 }
--- a/src/mol-model-formats/volume/cube.ts
+++ b/src/mol-model-formats/volume/cube.ts
@@ -1,7 +1,8 @@
 /**
- * Copyright (c) 2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2020-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
 *
 * @author David Sehnal <david.sehnal@gmail.com>
+ * @author Alexander Rose <alexander.rose@weirdbyte.de>
 */

 import { CubeFile } from '../../mol-io/reader/cube/parser';
@@ -11,8 +12,9 @@ import { Task } from '../../mol-task';
 import { arrayMax, arrayMean, arrayMin, arrayRms } from '../../mol-util/array';
 import { ModelFormat } from '../format';
 import { CustomProperties } from '../../mol-model/custom-property';
+import { clamp } from '../../mol-math/interpolate';

-export function volumeFromCube(source: CubeFile, params?: { dataIndex?: number, label?: string, entryId?: string }): Task<Volume> {
+export function volumeFromCube(source: CubeFile, params?: { dataIndex?: number, label?: string, entryId?: string, clamp?: { min: number, max: number } }): Task<Volume> {
    return Task.create<Volume>('Create Volume', async () => {
        const { header, values: sourceValues } = source;
        const space = Tensor.Space(header.dim, [0, 1, 2], Float64Array);
@@ -24,6 +26,7 @@ export function volumeFromCube(source: CubeFile, params?: { dataIndex?: number,
            // get every nth value from the source values
            const [h, k, l] = header.dim;
            const nth = (params?.dataIndex || 0) + 1;
+            const { min, max } = params?.clamp || { min: -Infinity, max: Infinity };

            let o = 0, s = 0;

@@ -31,7 +34,7 @@ export function volumeFromCube(source: CubeFile, params?: { dataIndex?: number,
            for (let u = 0; u < h; u++) {
                for (let v = 0; v < k; v++) {
                    for (let w = 0; w < l; w++) {
-                        values[o++] = sourceValues[s];
+                        values[o++] = clamp(sourceValues[s], min, max);
                        s += nth;
                    }
                }
--- a/src/mol-model/structure/model/types.ts
+++ b/src/mol-model/structure/model/types.ts
@@ -285,10 +285,6 @@ export const AminoAcidNamesD = new Set([
 ]);
 export const AminoAcidNames = SetUtils.unionMany(AminoAcidNamesL, AminoAcidNamesD);

-export const CommonProteinCaps = new Set([
-    'NME', 'ACE'
-]);
-
 export const RnaBaseNames = new Set([
    'A', 'C', 'T', 'G', 'I', 'U',
    'N' // unknown RNA base from CCD
--- a/src/mol-model/structure/model/types/saccharides.ts
+++ b/src/mol-model/structure/model/types/saccharides.ts
--- a/src/mol-model/structure/query/context.ts
+++ b/src/mol-model/structure/query/context.ts
@@ -155,6 +155,6 @@ class QueryContextBondInfo<U extends Unit = Unit> {
    }

    get length() {
-        return StructureElement.Location.distance(this.a, this.b);
+        return StructureElement.Location.distance(this.a, this. b);
    }
 }
--- a/src/mol-model/structure/structure/properties.ts
+++ b/src/mol-model/structure/structure/properties.ts
@@ -1,5 +1,5 @@
 /**
- * Copyright (c) 2017-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2017-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
 *
 * @author David Sehnal <david.sehnal@gmail.com>
 * @author Alexander Rose <alexander.rose@weirdbyte.de>
@@ -173,7 +173,6 @@ const unit = {
    multiChain: p(l => Unit.Traits.is(l.unit.traits, Unit.Trait.MultiChain)),
    object_primitive: p(l => l.unit.objectPrimitive),
    operator_name: p(l => l.unit.conformation.operator.name),
-    operator_key: p(l => l.unit.conformation.operator.key),
    model_index: p(l => l.unit.model.modelNum),
    model_label: p(l => l.unit.model.label),
    model_entry_id: p(l => l.unit.model.entryId),
--- a/src/mol-model/structure/structure/structure.ts
+++ b/src/mol-model/structure/structure/structure.ts
@@ -1224,7 +1224,7 @@ namespace Structure {
            const closeUnits = lookup.findUnitIndices(imageCenter[0], imageCenter[1], imageCenter[2], bs.radius + maxRadius);
            for (let i = 0; i < closeUnits.count; i++) {
                const other = structure.units[closeUnits.indices[i]];
-                if (other.elements.length > 3 && !Box3D.overlaps(bbox, other.boundary.box)) continue;
+                if (!Box3D.overlaps(bbox, other.boundary.box)) continue;
                if (!validUnit(other) || unit.id >= other.id || !validUnitPair(unit, other)) continue;

                if (other.elements.length >= unit.elements.length) callback(unit, other);
--- a/src/mol-model/structure/structure/unit/bonds/inter-compute.ts
+++ b/src/mol-model/structure/structure/unit/bonds/inter-compute.ts
@@ -71,8 +71,6 @@ function findPairBonds(unitA: Unit.Atomic, unitB: Unit.Atomic, props: BondComput
    const testDistanceSq = (bRadius + maxRadius) * (bRadius + maxRadius);

    builder.startUnitPair(unitA.id, unitB.id);
-    const opKeyA = unitA.conformation.operator.key;
-    const opKeyB = unitB.conformation.operator.key;

    for (let _aI = 0 as StructureElement.UnitIndex; _aI < atomCount; _aI++) {
        const aI = atomsA[_aI];
@@ -82,7 +80,7 @@ function findPairBonds(unitA: Unit.Atomic, unitB: Unit.Atomic, props: BondComput

        if (!props.forceCompute && indexPairs) {
            const { maxDistance } = indexPairs;
-            const { offset, b, edgeProps: { order, distance, flag, key, operatorA, operatorB } } = indexPairs.bonds;
+            const { offset, b, edgeProps: { order, distance, flag, key } } = indexPairs.bonds;

            const srcA = sourceIndex.value(aI);
            const aeI = getElementIdx(type_symbolA.value(aI));
@@ -92,11 +90,6 @@ function findPairBonds(unitA: Unit.Atomic, unitB: Unit.Atomic, props: BondComput
                const _bI = SortedArray.indexOf(unitB.elements, bI) as StructureElement.UnitIndex;
                if (_bI < 0) continue;

-                const opA = operatorA[i];
-                const opB = operatorB[i];
-                if ((opA >= 0 && opA !== opKeyA && opA !== opKeyB) ||
-                    (opB >= 0 && opB !== opKeyB && opB !== opKeyA)) continue;
-
                const beI = getElementIdx(type_symbolA.value(bI));

                const d = distance[i];
--- a/src/mol-model/structure/structure/unit/bonds/intra-compute.ts
+++ b/src/mol-model/structure/structure/unit/bonds/intra-compute.ts
@@ -55,7 +55,7 @@ function findIndexPairBonds(unit: Unit.Atomic) {
    const { type_symbol } = unit.model.atomicHierarchy.atoms;
    const atomCount = unit.elements.length;
    const { maxDistance } = indexPairs;
-    const { offset, b, edgeProps: { order, distance, flag, key, operatorA, operatorB } } = indexPairs.bonds;
+    const { offset, b, edgeProps: { order, distance, flag, key } } = indexPairs.bonds;

    const { atomSourceIndex: sourceIndex } = unit.model.atomicHierarchy;
    const { invertedIndex } = Model.getInvertedAtomSourceIndex(unit.model);
@@ -66,8 +66,6 @@ function findIndexPairBonds(unit: Unit.Atomic) {
    const orders: number[] = [];
    const keys: number[] = [];

-    const opKey = unit.conformation.operator.key;
-
    for (let _aI = 0 as StructureElement.UnitIndex; _aI < atomCount; _aI++) {
        const aI = atoms[_aI];
        const aeI = getElementIdx(type_symbol.value(aI));
@@ -82,10 +80,6 @@ function findIndexPairBonds(unit: Unit.Atomic) {
            const _bI = SortedArray.indexOf(unit.elements, bI) as StructureElement.UnitIndex;
            if (_bI < 0) continue;

-            const opA = operatorA[i];
-            const opB = operatorB[i];
-            if ((opA >= 0 && opA !== opKey) || (opB >= 0 && opB !== opKey)) continue;
-
            const beI = getElementIdx(type_symbol.value(bI));

            const d = distance[i];
--- a/src/mol-plugin-state/helpers/structure-selection-query.ts
+++ b/src/mol-plugin-state/helpers/structure-selection-query.ts
@@ -7,7 +7,7 @@

 import { CustomProperty } from '../../mol-model-props/common/custom-property';
 import { QueryContext, Structure, StructureQuery, StructureSelection, StructureProperties, StructureElement } from '../../mol-model/structure';
-import { BondType, NucleicBackboneAtoms, ProteinBackboneAtoms, SecondaryStructureType, AminoAcidNamesL, RnaBaseNames, DnaBaseNames, WaterNames, ElementSymbol, PolymerNames, CommonProteinCaps } from '../../mol-model/structure/model/types';
+import { BondType, NucleicBackboneAtoms, ProteinBackboneAtoms, SecondaryStructureType, AminoAcidNamesL, RnaBaseNames, DnaBaseNames, WaterNames, ElementSymbol, PolymerNames } from '../../mol-model/structure/model/types';
 import { PluginContext } from '../../mol-plugin/context';
 import { MolScriptBuilder as MS } from '../../mol-script/language/builder';
 import { Expression } from '../../mol-script/language/expression';
@@ -350,23 +350,14 @@ const ligand = StructureSelectionQuery('Ligand', MS.struct.modifier.union([
                ])
            ]),
        ]),
-        by: MS.struct.combinator.merge([
-            MS.struct.modifier.union([
-                MS.struct.generator.atomGroups({
-                    'entity-test': MS.core.rel.eq([MS.ammp('entityType'), 'polymer']),
-                    'chain-test': MS.core.rel.eq([MS.ammp('objectPrimitive'), 'atomistic']),
-                    'residue-test': MS.core.set.has([
-                        MS.set(...SetUtils.toArray(PolymerNames)), MS.ammp('label_comp_id')
-                    ])
-                }),
-            ]),
+        by: MS.struct.modifier.union([
            MS.struct.generator.atomGroups({
+                'entity-test': MS.core.rel.eq([MS.ammp('entityType'), 'polymer']),
                'chain-test': MS.core.rel.eq([MS.ammp('objectPrimitive'), 'atomistic']),
                'residue-test': MS.core.set.has([
-                    MS.set(...SetUtils.toArray(CommonProteinCaps)),
-                    MS.ammp('label_comp_id'),
-                ]),
-            }),
+                    MS.set(...SetUtils.toArray(PolymerNames)), MS.ammp('label_comp_id')
+                ])
+            })
        ])
    })
 ]), { category: StructureSelectionCategory.Type });
--- a/src/mol-plugin-state/transforms/representation.ts
+++ b/src/mol-plugin-state/transforms/representation.ts
@@ -1,5 +1,5 @@
 /**
- * Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2018-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
 *
 * @author David Sehnal <david.sehnal@gmail.com>
 * @author Alexander Rose <alexander.rose@weirdbyte.de>
@@ -43,7 +43,6 @@ import { Box3D } from '../../mol-math/geometry';
 import { PlaneParams, PlaneRepresentation } from '../../mol-repr/shape/loci/plane';
 import { Substance } from '../../mol-theme/substance';
 import { Material } from '../../mol-util/material';
-import { lerp } from '../../mol-math/interpolate';

 export { StructureRepresentation3D };
 export { ExplodeStructureRepresentation3D };
@@ -57,7 +56,6 @@ export { SubstanceStructureRepresentation3DFromScript };
 export { SubstanceStructureRepresentation3DFromBundle };
 export { ClippingStructureRepresentation3DFromScript };
 export { ClippingStructureRepresentation3DFromBundle };
-export { ThemeStrengthRepresentation3D };
 export { VolumeRepresentation3D };

 type StructureRepresentation3D = typeof StructureRepresentation3D
@@ -747,62 +745,6 @@ const ClippingStructureRepresentation3DFromBundle = PluginStateTransform.BuiltIn
    }
 });

-type ThemeStrengthRepresentation3D = typeof ThemeStrengthRepresentation3D
-const ThemeStrengthRepresentation3D = PluginStateTransform.BuiltIn({
-    name: 'theme-strength-representation-3d',
-    display: 'Theme Strength 3D Representation',
-    from: SO.Molecule.Structure.Representation3D,
-    to: SO.Molecule.Structure.Representation3DState,
-    params: () => ({
-        overpaintStrength: PD.Numeric(1, { min: 0, max: 1, step: 0.01 }),
-        transparencyStrength: PD.Numeric(1, { min: 0, max: 1, step: 0.01 }),
-        substanceStrength: PD.Numeric(1, { min: 0, max: 1, step: 0.01 }),
-    })
-})({
-    canAutoUpdate() {
-        return true;
-    },
-    apply({ a, params }) {
-        return new SO.Molecule.Structure.Representation3DState({
-            state: {
-                themeStrength: {
-                    overpaint: params.overpaintStrength,
-                    transparency: params.transparencyStrength,
-                    substance: params.substanceStrength
-                },
-            },
-            initialState: {
-                themeStrength: { overpaint: 1, transparency: 1, substance: 1 },
-            },
-            info: { },
-            repr: a.data.repr
-        }, { label: 'Theme Strength', description: `${params.overpaintStrength.toFixed(2)}, ${params.transparencyStrength.toFixed(2)}, ${params.substanceStrength.toFixed(2)}` });
-    },
-    update({ a, b, newParams, oldParams }) {
-        if (newParams.overpaintStrength === b.data.state.themeStrength?.overpaint &&
-            newParams.transparencyStrength === b.data.state.themeStrength?.transparency &&
-            newParams.substanceStrength === b.data.state.themeStrength?.substance
-        ) return StateTransformer.UpdateResult.Unchanged;
-
-        b.data.state.themeStrength = {
-            overpaint: newParams.overpaintStrength,
-            transparency: newParams.transparencyStrength,
-            substance: newParams.substanceStrength,
-        };
-        b.data.repr = a.data.repr;
-        b.label = 'Theme Strength';
-        b.description = `${newParams.overpaintStrength.toFixed(2)}, ${newParams.transparencyStrength.toFixed(2)}, ${newParams.substanceStrength.toFixed(2)}`;
-        return StateTransformer.UpdateResult.Updated;
-    },
-    interpolate(src, tar, t) {
-        return {
-            overpaintStrength: lerp(src.overpaintStrength, tar.overpaintStrength, t),
-            transparencyStrength: lerp(src.transparencyStrength, tar.transparencyStrength, t),
-            substanceStrength: lerp(src.substanceStrength, tar.substanceStrength, t),
-        };
-    }
-});
-
 //

 export namespace VolumeRepresentation3DHelpers {
--- a/src/mol-plugin-state/transforms/volume.ts
+++ b/src/mol-plugin-state/transforms/volume.ts
@@ -88,12 +88,24 @@ const VolumeFromCube = PluginStateTransform.BuiltIn({
        return {
            dataIndex,
            entryId: PD.Text(''),
+            clamp: PD.MappedStatic('off', {
+                'off': PD.EmptyGroup(),
+                'on': PD.Group({
+                    min: PD.Numeric(-1024),
+                    max: PD.Numeric(1024),
+                })
+            }, { cycle: true })
        };
    }
 })({
    apply({ a, params }) {
        return Task.create('Create volume from Cube', async ctx => {
-            const volume = await volumeFromCube(a.data, { ...params, label: a.data.name || a.label }).runInContext(ctx);
+            const volume = await volumeFromCube(a.data, {
+                dataIndex: params.dataIndex,
+                label: a.data.name || a.label,
+                entryId: params.entryId,
+                clamp: params.clamp.name === 'on' ? params.clamp.params : undefined,
+            }).runInContext(ctx);
            const props = { label: volume.label || 'Volume', description: `Volume ${a.data.header.dim[0]}\u00D7${a.data.header.dim[1]}\u00D7${a.data.header.dim[2]}` };
            return new SO.Volume.Data(volume, props);
        });
--- a/src/mol-plugin-ui/controls/parameters.tsx
+++ b/src/mol-plugin-ui/controls/parameters.tsx
@@ -18,7 +18,7 @@ import { getPrecision } from '../../mol-util/number';
 import { ParamDefinition as PD } from '../../mol-util/param-definition';
 import { ParamMapping } from '../../mol-util/param-mapping';
 import { camelCaseToWords } from '../../mol-util/string';
-import { PluginReactContext, PluginUIComponent } from '../base';
+import { PluginUIComponent } from '../base';
 import { PluginUIContext } from '../context';
 import { ActionMenu } from './action-menu';
 import { ColorOptions, ColorValueOption, CombinedColorControl } from './color';
@@ -505,12 +505,10 @@ export class ValueRefControl extends React.PureComponent<ParamProps<PD.ValueRef<

    toggle = () => this.setState({ showOptions: !this.state.showOptions });

-    private get items() {
-        return ActionMenu.createItemsFromSelectOptions(this.props.param.getOptions(this.context));
-    }
+    items = memoizeLatest((param: PD.ValueRef) => ActionMenu.createItemsFromSelectOptions(param.getOptions()));

    renderControl() {
-        const items = this.items;
+        const items = this.items(this.props.param);
        const current = this.props.value.ref ? ActionMenu.findItem(items, this.props.value.ref) : void 0;
        const label = current
            ? current.label
@@ -523,7 +521,7 @@ export class ValueRefControl extends React.PureComponent<ParamProps<PD.ValueRef<
    renderAddOn() {
        if (!this.state.showOptions) return null;

-        const items = this.items;
+        const items = this.items(this.props.param);
        const current = ActionMenu.findItem(items, this.props.value.ref);

        return <ActionMenu items={items} current={current} onSelect={this.onSelect} />;
@@ -541,7 +539,6 @@ export class ValueRefControl extends React.PureComponent<ParamProps<PD.ValueRef<
        });
    }
 }
-ValueRefControl.contextType = PluginReactContext;

 export class IntervalControl extends React.PureComponent<ParamProps<PD.Interval>, { isExpanded: boolean }> {
    state = { isExpanded: false };
--- a/src/mol-plugin-ui/skin/base/components/viewport.scss
+++ b/src/mol-plugin-ui/skin/base/components/viewport.scss
@@ -4,7 +4,7 @@
    top: 0;
    right: 0;
    bottom: 0;
-    background: $default-background;
+    background: black;

    .msp-btn-link {
        background: rgba(0,0,0,0.2);
--- a/src/mol-plugin-ui/structure/quick-styles.tsx
+++ b/src/mol-plugin-ui/structure/quick-styles.tsx
@@ -62,7 +62,6 @@ export class QuickStyles extends PurePluginUIComponent {
                        name: 'on',
                        params: { bias: 0.8, blurKernelSize: 15, radius: 5, samples: 32, resolutionScale: 1 }
                    },
-                    shadow: { name: 'off', params: {} },
                }
            });
        }
@@ -87,7 +86,6 @@ export class QuickStyles extends PurePluginUIComponent {
                            ? pp.occlusion.params
                            : { bias: 0.8, blurKernelSize: 15, radius: 5, samples: 32, resolutionScale: 1 }
                    },
-                    shadow: { name: 'off', params: {} },
                }
            });
        }
--- a/src/mol-plugin-ui/viewport/simple-settings.tsx
+++ b/src/mol-plugin-ui/viewport/simple-settings.tsx
@@ -59,7 +59,6 @@ const SimpleSettingsParams = {
    }, { pivot: 'color' }),
    lighting: PD.Group({
        occlusion: Canvas3DParams.postprocessing.params.occlusion,
-        shadow: Canvas3DParams.postprocessing.params.shadow,
        outline: Canvas3DParams.postprocessing.params.outline,
        fog: Canvas3DParams.cameraFog,
    }, { isFlat: true }),
@@ -115,7 +114,6 @@ const SimpleSettingsMapping = ParamMapping({
            },
            lighting: {
                occlusion: canvas.postprocessing.occlusion,
-                shadow: canvas.postprocessing.shadow,
                outline: canvas.postprocessing.outline,
                fog: canvas.cameraFog,
            },
@@ -131,7 +129,6 @@ const SimpleSettingsMapping = ParamMapping({
        canvas.transparentBackground = s.background.transparent;
        canvas.renderer.backgroundColor = s.background.color;
        canvas.postprocessing.occlusion = s.lighting.occlusion;
-        canvas.postprocessing.shadow = s.lighting.shadow;
        canvas.postprocessing.outline = s.lighting.outline;
        canvas.postprocessing.background = s.background.style;
        canvas.cameraFog = s.lighting.fog;
--- a/src/mol-plugin/config.ts
+++ b/src/mol-plugin/config.ts
@@ -37,7 +37,6 @@ export const PluginConfig = {
        // TODO: check back in a few weeks to see if it was fixed
        PreferWebGl1: item('plugin-config.prefer-webgl1', PluginFeatureDetection.preferWebGl1),
        AllowMajorPerformanceCaveat: item('plugin-config.allow-major-performance-caveat', false),
-        PowerPreference: item<WebGLContextAttributes['powerPreference']>('plugin-config.power-preference', 'high-performance'),
    },
    State: {
        DefaultServer: item('plugin-state.server', 'https://webchem.ncbr.muni.cz/molstar-state'),
--- a/src/mol-plugin/context.ts
+++ b/src/mol-plugin/context.ts
@@ -267,8 +267,7 @@ export class PluginContext {
                const enableDpoit = this.config.get(PluginConfig.General.EnableDpoit) || false;
                const preferWebGl1 = this.config.get(PluginConfig.General.PreferWebGl1) || false;
                const failIfMajorPerformanceCaveat = !(this.config.get(PluginConfig.General.AllowMajorPerformanceCaveat) ?? false);
-                const powerPreference = this.config.get(PluginConfig.General.PowerPreference) || 'high-performance';
-                (this.canvas3dContext as Canvas3DContext) = Canvas3DContext.fromCanvas(canvas, this.managers.asset, { antialias, preserveDrawingBuffer, pixelScale, pickScale, pickPadding, enableWboit, enableDpoit, preferWebGl1, failIfMajorPerformanceCaveat, powerPreference });
+                (this.canvas3dContext as Canvas3DContext) = Canvas3DContext.fromCanvas(canvas, this.managers.asset, { antialias, preserveDrawingBuffer, pixelScale, pickScale, pickPadding, enableWboit, enableDpoit, preferWebGl1, failIfMajorPerformanceCaveat });
            }
            (this.canvas3d as Canvas3D) = Canvas3D.create(this.canvas3dContext!);
            this.canvas3dInit.next(true);
--- a/src/mol-plugin/spec.ts
+++ b/src/mol-plugin/spec.ts
@@ -104,7 +104,6 @@ export const DefaultPluginSpec = (): PluginSpec => ({
        PluginSpec.Action(StateTransforms.Representation.TransparencyStructureRepresentation3DFromScript),
        PluginSpec.Action(StateTransforms.Representation.ClippingStructureRepresentation3DFromScript),
        PluginSpec.Action(StateTransforms.Representation.SubstanceStructureRepresentation3DFromScript),
-        PluginSpec.Action(StateTransforms.Representation.ThemeStrengthRepresentation3D),

        PluginSpec.Action(AssignColorVolume),
        PluginSpec.Action(StateTransforms.Volume.VolumeFromCcp4),
--- a/src/mol-repr/representation.ts
+++ b/src/mol-repr/representation.ts
@@ -140,7 +140,7 @@ export class RepresentationRegistry<D, S extends Representation.State> {
 //

 export { Representation };
-interface Representation<D, P extends PD.Params = PD.Params, S extends Representation.State = Representation.State> {
+interface Representation<D, P extends PD.Params = {}, S extends Representation.State = Representation.State> {
    readonly label: string
    readonly updated: Subject<number>
    /** Number of addressable groups in all visuals of the representation */
@@ -191,8 +191,6 @@ namespace Representation {
        substance: Substance
        /** Bit mask of per group clipping applied to the representation's renderobjects */
        clipping: Clipping
-        /** Strength of the representations overpaint, transparency, substance*/
-        themeStrength: { overpaint: number, transparency: number, substance: number }
        /** Controls if the representation's renderobjects are synced automatically with GPU or not */
        syncManually: boolean
        /** A transformation applied to the representation's renderobjects */
@@ -201,20 +199,7 @@ namespace Representation {
        markerActions: MarkerActions
    }
    export function createState(): State {
-        return {
-            visible: true,
-            alphaFactor: 1,
-            pickable: true,
-            colorOnly: false,
-            syncManually: false,
-            transform: Mat4.identity(),
-            overpaint: Overpaint.Empty,
-            transparency: Transparency.Empty,
-            substance: Substance.Empty,
-            clipping: Clipping.Empty,
-            themeStrength: { overpaint: 1, transparency: 1, substance: 1 },
-            markerActions: MarkerActions.All
-        };
+        return { visible: true, alphaFactor: 1, pickable: true, colorOnly: false, syncManually: false, transform: Mat4.identity(), overpaint: Overpaint.Empty, transparency: Transparency.Empty, substance: Substance.Empty, clipping: Clipping.Empty, markerActions: MarkerActions.All };
    }
    export function updateState(state: State, update: Partial<State>) {
        if (update.visible !== undefined) state.visible = update.visible;
@@ -225,7 +210,6 @@ namespace Representation {
        if (update.transparency !== undefined) state.transparency = update.transparency;
        if (update.substance !== undefined) state.substance = update.substance;
        if (update.clipping !== undefined) state.clipping = update.clipping;
-        if (update.themeStrength !== undefined) state.themeStrength = update.themeStrength;
        if (update.syncManually !== undefined) state.syncManually = update.syncManually;
        if (update.transform !== undefined) Mat4.copy(state.transform, update.transform);
        if (update.markerActions !== undefined) state.markerActions = update.markerActions;
@@ -236,7 +220,7 @@ namespace Representation {
    }
    export const StateBuilder: StateBuilder<State> = { create: createState, update: updateState };

-    export type Any<P extends PD.Params = PD.Params, S extends State = State> = Representation<any, P, S>
+    export type Any = Representation<any, any, any>
    export const Empty: Any = {
        label: '', groupCount: 0, renderObjects: [], geometryVersion: -1, props: {}, params: {}, updated: new Subject(), state: createState(), theme: Theme.createEmpty(),
        createOrUpdate: () => Task.constant('', undefined),
@@ -248,7 +232,7 @@ namespace Representation {
        destroy: () => {}
    };

-    export type Def<D, P extends PD.Params = PD.Params, S extends State = State> = { [k: string]: RepresentationFactory<D, P, S> }
+    export type Def<D, P extends PD.Params = {}, S extends State = State> = { [k: string]: RepresentationFactory<D, P, S> }

    export class GeometryState {
        private curr = new Set<number>();
@@ -272,7 +256,7 @@ namespace Representation {
        }
    }

-    export function createMulti<D, P extends PD.Params = PD.Params, S extends State = State>(label: string, ctx: RepresentationContext, getParams: RepresentationParamsGetter<D, P>, stateBuilder: StateBuilder<S>, reprDefs: Def<D, P>): Representation<D, P, S> {
+    export function createMulti<D, P extends PD.Params = {}, S extends State = State>(label: string, ctx: RepresentationContext, getParams: RepresentationParamsGetter<D, P>, stateBuilder: StateBuilder<S>, reprDefs: Def<D, P>): Representation<D, P, S> {
        let version = 0;
        const updated = new Subject<number>();
        const geometryState = new GeometryState();
@@ -448,7 +432,6 @@ namespace Representation {
                if (state.substance !== undefined) {
                    // TODO
                }
-                if (state.themeStrength !== undefined) Visual.setThemeStrength(renderObject, state.themeStrength);
                if (state.transform !== undefined) Visual.setTransform(renderObject, state.transform);

                Representation.updateState(currentState, state);
--- a/src/mol-repr/structure/complex-representation.ts
+++ b/src/mol-repr/structure/complex-representation.ts
@@ -127,7 +127,6 @@ export function ComplexRepresentation<P extends StructureParams>(label: string,
            const remappedClipping = Clipping.remap(state.clipping, _structure);
            visual.setClipping(remappedClipping);
        }
-        if (state.themeStrength !== undefined && visual) visual.setThemeStrength(state.themeStrength);
        if (state.transform !== undefined && visual) visual.setTransform(state.transform);
        if (state.unitTransforms !== undefined && visual) {
            // Since ComplexVisuals always renders geometries between units, the application
--- a/src/mol-repr/structure/complex-visual.ts
+++ b/src/mol-repr/structure/complex-visual.ts
@@ -299,9 +299,6 @@ export function ComplexVisual<G extends Geometry, P extends StructureParams & Ge
        setClipping(clipping: Clipping) {
            Visual.setClipping(renderObject, clipping, lociApply, true);
        },
-        setThemeStrength(strength: { overpaint: number, transparency: number, substance: number }) {
-            Visual.setThemeStrength(renderObject, strength);
-        },
        destroy() {
            dispose?.(geometry);
            if (renderObject) {
--- a/src/mol-repr/structure/representation/molecular-surface.ts
+++ b/src/mol-repr/structure/representation/molecular-surface.ts
@@ -1,13 +1,13 @@
 /**
- * Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2018-2019 mol* contributors, licensed under MIT, See LICENSE file for more info.
 *
 * @author Alexander Rose <alexander.rose@weirdbyte.de>
 */

-import { MolecularSurfaceMeshVisual, MolecularSurfaceMeshParams, StructureMolecularSurfaceMeshVisual } from '../visual/molecular-surface-mesh';
+import { MolecularSurfaceMeshVisual, MolecularSurfaceMeshParams } from '../visual/molecular-surface-mesh';
 import { UnitsRepresentation } from '../units-representation';
 import { ParamDefinition as PD } from '../../../mol-util/param-definition';
-import { ComplexRepresentation, StructureRepresentation, StructureRepresentationProvider, StructureRepresentationStateBuilder } from '../representation';
+import { StructureRepresentation, StructureRepresentationProvider, StructureRepresentationStateBuilder } from '../representation';
 import { Representation, RepresentationParamsGetter, RepresentationContext } from '../../../mol-repr/representation';
 import { ThemeRegistryContext } from '../../../mol-theme/theme';
 import { Structure } from '../../../mol-model/structure';
@@ -16,7 +16,6 @@ import { BaseGeometry } from '../../../mol-geo/geometry/base';

 const MolecularSurfaceVisuals = {
    'molecular-surface-mesh': (ctx: RepresentationContext, getParams: RepresentationParamsGetter<Structure, MolecularSurfaceMeshParams>) => UnitsRepresentation('Molecular surface mesh', ctx, getParams, MolecularSurfaceMeshVisual),
-    'structure-molecular-surface-mesh': (ctx: RepresentationContext, getParams: RepresentationParamsGetter<Structure, MolecularSurfaceMeshParams>) => ComplexRepresentation('Structure Molecular surface mesh', ctx, getParams, StructureMolecularSurfaceMeshVisual),
    'molecular-surface-wireframe': (ctx: RepresentationContext, getParams: RepresentationParamsGetter<Structure, MolecularSurfaceWireframeParams>) => UnitsRepresentation('Molecular surface wireframe', ctx, getParams, MolecularSurfaceWireframeVisual),
 };

--- a/src/mol-repr/structure/units-representation.ts
+++ b/src/mol-repr/structure/units-representation.ts
@@ -222,7 +222,7 @@ export function UnitsRepresentation<P extends StructureParams>(label: string, ct
    }

    function setVisualState(visual: UnitsVisual<P>, group: Unit.SymmetryGroup, state: Partial<StructureRepresentationState>) {
-        const { visible, alphaFactor, pickable, overpaint, transparency, substance, clipping, themeStrength, transform, unitTransforms } = state;
+        const { visible, alphaFactor, pickable, overpaint, transparency, substance, clipping, transform, unitTransforms } = state;

        if (visible !== undefined) visual.setVisibility(visible);
        if (alphaFactor !== undefined) visual.setAlphaFactor(alphaFactor);
@@ -231,7 +231,6 @@ export function UnitsRepresentation<P extends StructureParams>(label: string, ct
        if (transparency !== undefined) visual.setTransparency(transparency, webgl);
        if (substance !== undefined) visual.setSubstance(substance, webgl);
        if (clipping !== undefined) visual.setClipping(clipping);
-        if (themeStrength !== undefined) visual.setThemeStrength(themeStrength);
        if (transform !== undefined) visual.setTransform(transform);
        if (unitTransforms !== undefined) {
            if (unitTransforms) {
@@ -244,7 +243,7 @@ export function UnitsRepresentation<P extends StructureParams>(label: string, ct
    }

    function setState(state: Partial<StructureRepresentationState>) {
-        const { visible, alphaFactor, pickable, overpaint, transparency, substance, clipping, themeStrength, transform, unitTransforms, syncManually, markerActions } = state;
+        const { visible, alphaFactor, pickable, overpaint, transparency, substance, clipping, transform, unitTransforms, syncManually, markerActions } = state;
        const newState: Partial<StructureRepresentationState> = {};

        if (visible !== _state.visible) newState.visible = visible;
@@ -262,7 +261,6 @@ export function UnitsRepresentation<P extends StructureParams>(label: string, ct
        if (clipping !== undefined && _structure) {
            newState.clipping = Clipping.remap(clipping, _structure);
        }
-        if (themeStrength !== undefined) newState.themeStrength = themeStrength;
        if (transform !== undefined && !Mat4.areEqual(transform, _state.transform, EPSILON)) {
            newState.transform = transform;
        }
--- a/src/mol-repr/structure/units-visual.ts
+++ b/src/mol-repr/structure/units-visual.ts
@@ -381,9 +381,6 @@ export function UnitsVisual<G extends Geometry, P extends StructureParams & Geom
        setClipping(clipping: Clipping) {
            Visual.setClipping(renderObject, clipping, lociApply, true);
        },
-        setThemeStrength(strength: { overpaint: number, transparency: number, substance: number }) {
-            Visual.setThemeStrength(renderObject, strength);
-        },
        destroy() {
            dispose?.(geometry);
            if (renderObject) {
--- a/src/mol-repr/structure/visual/gaussian-surface-mesh.ts
+++ b/src/mol-repr/structure/visual/gaussian-surface-mesh.ts
@@ -247,7 +247,6 @@ async function createGaussianSurfaceTextureMesh(ctx: VisualContext, unit: Unit,
    const boundingSphere = Sphere3D.expand(Sphere3D(), unit.boundary.sphere, densityTextureData.maxRadius);
    const surface = TextureMesh.create(gv.vertexCount, groupCount, gv.vertexTexture, gv.groupTexture, gv.normalTexture, boundingSphere, textureMesh);
    (surface.meta as GaussianSurfaceMeta).resolution = densityTextureData.resolution;
-    surface.meta.webgl = ctx.webgl;

    return surface;
 }
@@ -322,7 +321,6 @@ async function createStructureGaussianSurfaceTextureMesh(ctx: VisualContext, str
    const boundingSphere = Sphere3D.expand(Sphere3D(), structure.boundary.sphere, densityTextureData.maxRadius);
    const surface = TextureMesh.create(gv.vertexCount, groupCount, gv.vertexTexture, gv.groupTexture, gv.normalTexture, boundingSphere, textureMesh);
    (surface.meta as GaussianSurfaceMeta).resolution = densityTextureData.resolution;
-    surface.meta.webgl = ctx.webgl;

    return surface;
 }
--- a/src/mol-repr/structure/visual/molecular-surface-mesh.ts
+++ b/src/mol-repr/structure/visual/molecular-surface-mesh.ts
@@ -11,9 +11,9 @@ import { VisualContext } from '../../visual';
 import { Unit, Structure } from '../../../mol-model/structure';
 import { Theme } from '../../../mol-theme/theme';
 import { Mesh } from '../../../mol-geo/geometry/mesh/mesh';
-import { computeStructureMolecularSurface, computeUnitMolecularSurface } from './util/molecular-surface';
+import { computeUnitMolecularSurface } from './util/molecular-surface';
 import { computeMarchingCubesMesh } from '../../../mol-geo/util/marching-cubes/algorithm';
-import { ElementIterator, getElementLoci, eachElement, getSerialElementLoci, eachSerialElement } from './util/element';
+import { ElementIterator, getElementLoci, eachElement } from './util/element';
 import { VisualUpdateState } from '../../util';
 import { CommonSurfaceParams } from './util/common';
 import { Sphere3D } from '../../../mol-math/geometry';
@@ -23,7 +23,6 @@ import { WebGLContext } from '../../../mol-gl/webgl/context';
 import { applyMeshColorSmoothing } from '../../../mol-geo/geometry/mesh/color-smoothing';
 import { ColorSmoothingParams, getColorSmoothingProps } from '../../../mol-geo/geometry/base';
 import { ValueCell } from '../../../mol-util';
-import { ComplexMeshVisual, ComplexVisual } from '../complex-visual';

 export const MolecularSurfaceMeshParams = {
    ...UnitsMeshParams,
@@ -105,72 +104,4 @@ export function MolecularSurfaceMeshVisual(materialId: number): UnitsVisual<Mole
            (geometry.meta as MolecularSurfaceMeta).colorTexture?.destroy();
        }
    }, materialId);
-}
-
-//
-
-async function createStructureMolecularSurfaceMesh(ctx: VisualContext, structure: Structure, theme: Theme, props: MolecularSurfaceMeshProps, mesh?: Mesh): Promise<Mesh> {
-    const { transform, field, idField, resolution, maxRadius } = await computeStructureMolecularSurface(structure, theme.size, props).runInContext(ctx.runtime);
-
-    const params = {
-        isoLevel: props.probeRadius,
-        scalarField: field,
-        idField
-    };
-    const surface = await computeMarchingCubesMesh(params, mesh).runAsChild(ctx.runtime);
-
-    if (props.includeParent) {
-        const iterations = Math.ceil(2 / props.resolution);
-        Mesh.smoothEdges(surface, { iterations, maxNewEdgeLength: Math.sqrt(2) });
-    }
-
-    Mesh.transform(surface, transform);
-    if (ctx.webgl && !ctx.webgl.isWebGL2) {
-        Mesh.uniformTriangleGroup(surface);
-        ValueCell.updateIfChanged(surface.varyingGroup, false);
-    } else {
-        ValueCell.updateIfChanged(surface.varyingGroup, true);
-    }
-
-    const sphere = Sphere3D.expand(Sphere3D(), structure.boundary.sphere, maxRadius);
-    surface.setBoundingSphere(sphere);
-    (surface.meta as MolecularSurfaceMeta).resolution = resolution;
-
-    return surface;
-}
-
-export function StructureMolecularSurfaceMeshVisual(materialId: number): ComplexVisual<MolecularSurfaceMeshParams> {
-    return ComplexMeshVisual<MolecularSurfaceMeshParams>({
-        defaultProps: PD.getDefaultValues(MolecularSurfaceMeshParams),
-        createGeometry: createStructureMolecularSurfaceMesh,
-        createLocationIterator: ElementIterator.fromStructure,
-        getLoci: getSerialElementLoci,
-        eachLocation: eachSerialElement,
-        setUpdateState: (state: VisualUpdateState, newProps: PD.Values<MolecularSurfaceMeshParams>, currentProps: PD.Values<MolecularSurfaceMeshParams>) => {
-            if (newProps.resolution !== currentProps.resolution) state.createGeometry = true;
-            if (newProps.probeRadius !== currentProps.probeRadius) state.createGeometry = true;
-            if (newProps.probePositions !== currentProps.probePositions) state.createGeometry = true;
-            if (newProps.ignoreHydrogens !== currentProps.ignoreHydrogens) state.createGeometry = true;
-            if (newProps.traceOnly !== currentProps.traceOnly) state.createGeometry = true;
-            if (newProps.includeParent !== currentProps.includeParent) state.createGeometry = true;
-
-            if (newProps.smoothColors.name !== currentProps.smoothColors.name) {
-                state.updateColor = true;
-            } else if (newProps.smoothColors.name === 'on' && currentProps.smoothColors.name === 'on') {
-                if (newProps.smoothColors.params.resolutionFactor !== currentProps.smoothColors.params.resolutionFactor) state.updateColor = true;
-                if (newProps.smoothColors.params.sampleStride !== currentProps.smoothColors.params.sampleStride) state.updateColor = true;
-            }
-        },
-        processValues: (values: MeshValues, geometry: Mesh, props: PD.Values<MolecularSurfaceMeshParams>, theme: Theme, webgl?: WebGLContext) => {
-            const { resolution, colorTexture } = geometry.meta as MolecularSurfaceMeta;
-            const csp = getColorSmoothingProps(props.smoothColors, theme.color.preferSmoothing, resolution);
-            if (csp) {
-                applyMeshColorSmoothing(values, csp.resolution, csp.stride, webgl, colorTexture);
-                (geometry.meta as MolecularSurfaceMeta).colorTexture = values.tColorGrid.ref.value;
-            }
-        },
-        dispose: (geometry: Mesh) => {
-            (geometry.meta as MolecularSurfaceMeta).colorTexture?.destroy();
-        }
-    }, materialId);
 }
--- a/src/mol-repr/structure/visual/util/common.ts
+++ b/src/mol-repr/structure/visual/util/common.ts
@@ -151,7 +151,7 @@ function squaredDistance(x: number, y: number, z: number, center: Vec3) {
 }

 /** marks `indices` for filtering/ignoring in `id` when not in `elements` */
-function filterUnitId(id: AssignableArrayLike<number>, elements: SortedArray, indices: SortedArray) {
+function filterId(id: AssignableArrayLike<number>, elements: SortedArray, indices: SortedArray) {
    let start = 0;
    const end = elements.length;
    for (let i = 0, il = indices.length; i < il; ++i) {
@@ -168,25 +168,24 @@ function filterUnitId(id: AssignableArrayLike<number>, elements: SortedArray, in
 export function getUnitConformationAndRadius(structure: Structure, unit: Unit, sizeTheme: SizeTheme<any>, props: CommonSurfaceProps) {
    const { ignoreHydrogens, traceOnly, includeParent } = props;
    const rootUnit = includeParent ? structure.root.unitMap.get(unit.id) : unit;
-    const differentRoot = includeParent && rootUnit !== unit;

    const { x, y, z } = getConformation(rootUnit);
    const { elements } = rootUnit;
    const { center, radius: sphereRadius } = unit.boundary.sphere;
-    const extraRadius = (4 + 1.5) * 2; // TODO should be twice (the max vdW/sphere radius plus the probe radius)
+    const extraRadius = (2 + 1.5) * 2; // TODO should be twice (the max vdW/sphere radius plus the probe radius)
    const radiusSq = (sphereRadius + extraRadius) * (sphereRadius + extraRadius);

    let indices: SortedArray<ElementIndex>;
    let id: AssignableArrayLike<number>;

-    if (ignoreHydrogens || traceOnly || differentRoot) {
-        const _indices: number[] = [];
-        const _id: number[] = [];
+    if (ignoreHydrogens || traceOnly || (includeParent && rootUnit !== unit)) {
+        const _indices = [];
+        const _id = [];
        for (let i = 0, il = elements.length; i < il; ++i) {
            const eI = elements[i];
            if (ignoreHydrogens && isHydrogen(rootUnit, eI)) continue;
            if (traceOnly && !isTrace(rootUnit, eI)) continue;
-            if (differentRoot && squaredDistance(x[eI], y[eI], z[eI], center) > radiusSq) continue;
+            if (includeParent && squaredDistance(x[eI], y[eI], z[eI], center) > radiusSq) continue;

            _indices.push(eI);
            _id.push(i);
@@ -199,11 +198,11 @@ export function getUnitConformationAndRadius(structure: Structure, unit: Unit, s
    }

    if (includeParent && rootUnit !== unit) {
-        filterUnitId(id, unit.elements, indices);
+        filterId(id, unit.elements, indices);
    }

    const position = { indices, x, y, z, id };
-    const boundary = differentRoot ? getBoundary(position) : unit.boundary;
+    const boundary = unit === rootUnit ? unit.boundary : getBoundary(position);

    const l = StructureElement.Location.create(structure, rootUnit);
    const radius = (index: number) => {
@@ -214,36 +213,25 @@ export function getUnitConformationAndRadius(structure: Structure, unit: Unit, s
    return { position, boundary, radius };
 }

-export function getStructureConformationAndRadius(structure: Structure, sizeTheme: SizeTheme<any>, props: CommonSurfaceProps) {
-    const { ignoreHydrogens, traceOnly, includeParent } = props;
-    const differentRoot = includeParent && !!structure.parent;
-    const l = StructureElement.Location.create(structure.root);
-
-    const { center, radius: sphereRadius } = structure.boundary.sphere;
-    const extraRadius = (4 + 1.5) * 2; // TODO should be twice (the max vdW/sphere radius plus the probe radius)
-    const radiusSq = (sphereRadius + extraRadius) * (sphereRadius + extraRadius);
+export function getStructureConformationAndRadius(structure: Structure, sizeTheme: SizeTheme<any>, ignoreHydrogens: boolean, traceOnly: boolean) {
+    const l = StructureElement.Location.create(structure);

    let xs: ArrayLike<number>;
    let ys: ArrayLike<number>;
    let zs: ArrayLike<number>;
    let rs: ArrayLike<number>;
-    let id: AssignableArrayLike<number>;
-    let indices: OrderedSet<number>;
-
-    if (ignoreHydrogens || traceOnly || differentRoot) {
-        const { getSerialIndex } = structure.serialMapping;
-        const units = differentRoot ? structure.root.units : structure.units;
+    let id: ArrayLike<number>;

+    if (ignoreHydrogens || traceOnly) {
        const _xs: number[] = [];
        const _ys: number[] = [];
        const _zs: number[] = [];
        const _rs: number[] = [];
        const _id: number[] = [];
-        for (let i = 0, il = units.length; i < il; ++i) {
-            const unit = units[i];
+        for (let i = 0, m = 0, il = structure.units.length; i < il; ++i) {
+            const unit = structure.units[i];
            const { elements } = unit;
            const { x, y, z } = unit.conformation;
-            const childUnit = structure.unitMap.get(unit.id);

            l.unit = unit;
            for (let j = 0, jl = elements.length; j < jl; ++j) {
@@ -251,30 +239,17 @@ export function getStructureConformationAndRadius(structure: Structure, sizeThem
                if (ignoreHydrogens && isHydrogen(unit, eI)) continue;
                if (traceOnly && !isTrace(unit, eI)) continue;

-                const _x = x(eI), _y = y(eI), _z = z(eI);
-                if (differentRoot && squaredDistance(_x, _y, _z, center) > radiusSq) continue;
-
-                _xs.push(_x);
-                _ys.push(_y);
-                _zs.push(_z);
+                _xs.push(x(eI));
+                _ys.push(y(eI));
+                _zs.push(z(eI));
                l.element = eI;
                _rs.push(sizeTheme.size(l));
-
-                if (differentRoot) {
-                    const idx = childUnit ? SortedArray.indexOf(childUnit.elements, eI) : -1;
-                    if (idx === -1) {
-                        _id.push(-2); // mark for filtering/ignoring when not in `elements`
-                    } else {
-                        _id.push(getSerialIndex(childUnit, eI));
-                    }
-                } else {
-                    _id.push(getSerialIndex(unit, eI));
-                }
+                _id.push(m + j);
            }
+            m += elements.length;
        }
        xs = _xs, ys = _ys, zs = _zs, rs = _rs;
        id = _id;
-        indices = OrderedSet.ofRange(0, id.length);
    } else {
        const { elementCount } = structure;
        const _xs = new Float32Array(elementCount);
@@ -300,14 +275,12 @@ export function getStructureConformationAndRadius(structure: Structure, sizeThem
        }
        xs = _xs, ys = _ys, zs = _zs, rs = _rs;
        id = fillSerial(new Uint32Array(elementCount));
-        indices = OrderedSet.ofRange(0, id.length);
    }

-    const position = { indices, x: xs, y: ys, z: zs, id };
-    const boundary = differentRoot ? getBoundary(position) : structure.boundary;
+    const position = { indices: OrderedSet.ofRange(0, id.length), x: xs, y: ys, z: zs, id };
    const radius = (index: number) => rs[index];

-    return { position, boundary, radius };
+    return { position, radius };
 }

 const _H = AtomicNumbers['H'];
--- a/src/mol-repr/structure/visual/util/gaussian.ts
+++ b/src/mol-repr/structure/visual/util/gaussian.ts
@@ -1,5 +1,5 @@
 /**
- * Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2018-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
 *
 * @author Alexander Rose <alexander.rose@weirdbyte.de>
 */
@@ -34,51 +34,56 @@ export function getTextureMaxCells(webgl: WebGLContext, structure?: Structure) {
 //

 export function computeUnitGaussianDensity(structure: Structure, unit: Unit, sizeTheme: SizeTheme<any>, props: GaussianDensityProps) {
-    const { position, boundary, radius } = getUnitConformationAndRadius(structure, unit, sizeTheme, props);
-    const p = ensureReasonableResolution(boundary.box, props);
+    const { box } = unit.lookup3d.boundary;
+    const p = ensureReasonableResolution(box, props);
+    const { position, radius } = getUnitConformationAndRadius(structure, unit, sizeTheme, p);
    return Task.create('Gaussian Density', async ctx => {
-        return await GaussianDensityCPU(ctx, position, boundary.box, radius, p);
+        return await GaussianDensityCPU(ctx, position, box, radius, p);
    });
 }

 export function computeUnitGaussianDensityTexture(structure: Structure, unit: Unit, sizeTheme: SizeTheme<any>, props: GaussianDensityProps, webgl: WebGLContext, texture?: Texture) {
-    const { position, boundary, radius } = getUnitConformationAndRadius(structure, unit, sizeTheme, props);
-    const p = ensureReasonableResolution(boundary.box, props, getTextureMaxCells(webgl, structure));
+    const { box } = unit.lookup3d.boundary;
+    const p = ensureReasonableResolution(box, props, getTextureMaxCells(webgl, structure));
+    const { position, radius } = getUnitConformationAndRadius(structure, unit, sizeTheme, p);
    return Task.create('Gaussian Density', async ctx => {
-        return GaussianDensityTexture(webgl, position, boundary.box, radius, p, texture);
+        return GaussianDensityTexture(webgl, position, box, radius, p, texture);
    });
 }

 export function computeUnitGaussianDensityTexture2d(structure: Structure, unit: Unit, sizeTheme: SizeTheme<any>, powerOfTwo: boolean, props: GaussianDensityProps, webgl: WebGLContext, texture?: Texture) {
-    const { position, boundary, radius } = getUnitConformationAndRadius(structure, unit, sizeTheme, props);
-    const p = ensureReasonableResolution(boundary.box, props, getTextureMaxCells(webgl, structure));
+    const { box } = unit.lookup3d.boundary;
+    const p = ensureReasonableResolution(box, props, getTextureMaxCells(webgl, structure));
+    const { position, radius } = getUnitConformationAndRadius(structure, unit, sizeTheme, p);
    return Task.create('Gaussian Density', async ctx => {
-        return GaussianDensityTexture2d(webgl, position, boundary.box, radius, powerOfTwo, p, texture);
+        return GaussianDensityTexture2d(webgl, position, box, radius, powerOfTwo, p, texture);
    });
 }

 //

 export function computeStructureGaussianDensity(structure: Structure, sizeTheme: SizeTheme<any>, props: GaussianDensityProps) {
-    const { position, boundary, radius } = getStructureConformationAndRadius(structure, sizeTheme, props);
-    const p = ensureReasonableResolution(boundary.box, props);
+    const { box } = structure.lookup3d.boundary;
+    const p = ensureReasonableResolution(box, props);
+    const { position, radius } = getStructureConformationAndRadius(structure, sizeTheme, props.ignoreHydrogens, props.traceOnly);
    return Task.create('Gaussian Density', async ctx => {
-        return await GaussianDensityCPU(ctx, position, boundary.box, radius, p);
+        return await GaussianDensityCPU(ctx, position, box, radius, p);
    });
 }

 export function computeStructureGaussianDensityTexture(structure: Structure, sizeTheme: SizeTheme<any>, props: GaussianDensityProps, webgl: WebGLContext, texture?: Texture) {
-    const { position, boundary, radius } = getStructureConformationAndRadius(structure, sizeTheme, props);
-    const p = ensureReasonableResolution(boundary.box, props);
+    const { box } = structure.lookup3d.boundary;
+    const p = ensureReasonableResolution(box, props, getTextureMaxCells(webgl));
+    const { position, radius } = getStructureConformationAndRadius(structure, sizeTheme, props.ignoreHydrogens, props.traceOnly);
    return Task.create('Gaussian Density', async ctx => {
-        return GaussianDensityTexture(webgl, position, boundary.box, radius, p, texture);
+        return GaussianDensityTexture(webgl, position, box, radius, p, texture);
    });
 }

 export function computeStructureGaussianDensityTexture2d(structure: Structure, sizeTheme: SizeTheme<any>, powerOfTwo: boolean, props: GaussianDensityProps, webgl: WebGLContext, texture?: Texture) {
    const { box } = structure.lookup3d.boundary;
-    const { position, boundary, radius } = getStructureConformationAndRadius(structure, sizeTheme, props);
-    const p = ensureReasonableResolution(boundary.box, props);
+    const p = ensureReasonableResolution(box, props, getTextureMaxCells(webgl));
+    const { position, radius } = getStructureConformationAndRadius(structure, sizeTheme, props.ignoreHydrogens, props.traceOnly);
    return Task.create('Gaussian Density', async ctx => {
        return GaussianDensityTexture2d(webgl, position, box, radius, powerOfTwo, p, texture);
    });
--- a/src/mol-repr/structure/visual/util/molecular-surface.ts
+++ b/src/mol-repr/structure/visual/util/molecular-surface.ts
@@ -1,12 +1,12 @@
 /**
- * Copyright (c) 2019-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2019-2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
 *
 * @author Alexander Rose <alexander.rose@weirdbyte.de>
 */

 import { Unit, Structure } from '../../../../mol-model/structure';
 import { Task, RuntimeContext } from '../../../../mol-task';
-import { getUnitConformationAndRadius, CommonSurfaceProps, ensureReasonableResolution, getStructureConformationAndRadius } from './common';
+import { getUnitConformationAndRadius, CommonSurfaceProps, ensureReasonableResolution } from './common';
 import { PositionData, DensityData, Box3D } from '../../../../mol-math/geometry';
 import { MolecularSurfaceCalculationProps, calcMolecularSurface } from '../../../../mol-math/geometry/molecular-surface';
 import { OrderedSet } from '../../../../mol-data/int';
@@ -15,7 +15,7 @@ import { SizeTheme } from '../../../../mol-theme/size';

 export type MolecularSurfaceProps = MolecularSurfaceCalculationProps & CommonSurfaceProps

-function getUnitPositionDataAndMaxRadius(structure: Structure, unit: Unit, sizeTheme: SizeTheme<any>, props: MolecularSurfaceProps) {
+function getPositionDataAndMaxRadius(structure: Structure, unit: Unit, sizeTheme: SizeTheme<any>, props: MolecularSurfaceProps) {
    const { probeRadius } = props;
    const { position, boundary, radius } = getUnitConformationAndRadius(structure, unit, sizeTheme, props);
    const { indices } = position;
@@ -34,38 +34,11 @@ function getUnitPositionDataAndMaxRadius(structure: Structure, unit: Unit, sizeT
 }

 export function computeUnitMolecularSurface(structure: Structure, unit: Unit, sizeTheme: SizeTheme<any>, props: MolecularSurfaceProps) {
-    const { position, boundary, maxRadius } = getUnitPositionDataAndMaxRadius(structure, unit, sizeTheme, props);
-    const p = ensureReasonableResolution(boundary.box, props);
+    const { box } = unit.lookup3d.boundary;
+    const p = ensureReasonableResolution(box, props);
+    const { position, boundary, maxRadius } = getPositionDataAndMaxRadius(structure, unit, sizeTheme, p);
    return Task.create('Molecular Surface', async ctx => {
-        return await MolecularSurface(ctx, position, boundary, maxRadius, boundary.box, p);
-    });
-}
-
-//
-
-function getStructurePositionDataAndMaxRadius(structure: Structure, sizeTheme: SizeTheme<any>, props: MolecularSurfaceProps) {
-    const { probeRadius } = props;
-    const { position, boundary, radius } = getStructureConformationAndRadius(structure, sizeTheme, props);
-    const { indices } = position;
-    const n = OrderedSet.size(indices);
-    const radii = new Float32Array(OrderedSet.end(indices));
-
-    let maxRadius = 0;
-    for (let i = 0; i < n; ++i) {
-        const j = OrderedSet.getAt(indices, i);
-        const r = radius(j);
-        if (maxRadius < r) maxRadius = r;
-        radii[j] = r + probeRadius;
-    }
-
-    return { position: { ...position, radius: radii }, boundary, maxRadius };
-}
-
-export function computeStructureMolecularSurface(structure: Structure, sizeTheme: SizeTheme<any>, props: MolecularSurfaceProps) {
-    const { position, boundary, maxRadius } = getStructurePositionDataAndMaxRadius(structure, sizeTheme, props);
-    const p = ensureReasonableResolution(boundary.box, props);
-    return Task.create('Molecular Surface', async ctx => {
-        return await MolecularSurface(ctx, position, boundary, maxRadius, boundary.box, p);
+        return await MolecularSurface(ctx, position, boundary, maxRadius, box, p);
    });
 }

--- a/src/mol-repr/util.ts
+++ b/src/mol-repr/util.ts
@@ -75,7 +75,7 @@ export type QualityThresholds = typeof DefaultQualityThresholds
 export function getStructureQuality(structure: Structure, tresholds: Partial<QualityThresholds> = {}): VisualQuality {
    const t = { ...DefaultQualityThresholds, ...tresholds };
    let score = structure.elementCount * t.elementCountFactor;
-    if (structure.isCoarseGrained || structure.isCoarse) score *= t.coarseGrainedFactor;
+    if (structure.isCoarseGrained) score *= t.coarseGrainedFactor;
    if (score > t.lowestElementCount) {
        return 'lowest';
    } else if (score > t.lowerElementCount) {
--- a/src/mol-repr/visual.ts
+++ b/src/mol-repr/visual.ts
@@ -55,7 +55,6 @@ interface Visual<D, P extends PD.Params> {
    setTransparency: (transparency: Transparency, webgl?: WebGLContext) => void
    setSubstance: (substance: Substance, webgl?: WebGLContext) => void
    setClipping: (clipping: Clipping) => void
-    setThemeStrength: (strength: { overpaint: number, transparency: number, substance: number }) => void
    destroy: () => void
    mustRecreate?: (data: D, props: PD.Values<P>, webgl?: WebGLContext) => boolean
 }
@@ -350,14 +349,6 @@ namespace Visual {
        ValueCell.updateIfChanged(dClipping, clipping.layers.length > 0);
    }

-    export function setThemeStrength(renderObject: GraphicsRenderObject | undefined, strength: { overpaint: number, transparency: number, substance: number }) {
-        if (renderObject) {
-            ValueCell.updateIfChanged(renderObject.values.uOverpaintStrength, strength.overpaint);
-            ValueCell.updateIfChanged(renderObject.values.uTransparencyStrength, strength.transparency);
-            ValueCell.updateIfChanged(renderObject.values.uSubstanceStrength, strength.substance);
-        }
-    }
-
    export function setTransform(renderObject: GraphicsRenderObject | undefined, transform?: Mat4, instanceTransforms?: Float32Array | null) {
        if (!renderObject || (!transform && !instanceTransforms)) return;

--- a/src/mol-repr/volume/isosurface.ts
+++ b/src/mol-repr/volume/isosurface.ts
@@ -201,7 +201,6 @@ async function createVolumeIsosurfaceTextureMesh(ctx: VisualContext, volume: Vol

    const groupCount = volume.grid.cells.data.length;
    const surface = TextureMesh.create(gv.vertexCount, groupCount, gv.vertexTexture, gv.groupTexture, gv.normalTexture, Volume.getBoundingSphere(volume), textureMesh);
-    surface.meta.webgl = ctx.webgl;

    return surface;
 }
--- a/src/mol-repr/volume/representation.ts
+++ b/src/mol-repr/volume/representation.ts
@@ -252,9 +252,6 @@ export function VolumeVisual<G extends Geometry, P extends VolumeParams & Geomet
        setClipping(clipping: Clipping) {
            return Visual.setClipping(renderObject, clipping, lociApply, true);
        },
-        setThemeStrength(strength: { overpaint: number, transparency: number, substance: number }) {
-            Visual.setThemeStrength(renderObject, strength);
-        },
        destroy() {
            dispose?.(geometry);
            if (renderObject) {
--- a/src/mol-script/language/symbol-table/structure-query.ts
+++ b/src/mol-script/language/symbol-table/structure-query.ts
@@ -273,7 +273,6 @@ const atomProperty = {

        sourceIndex: atomProp(Type.Num, 'Index of the atom/element in the input file.'),
        operatorName: atomProp(Type.Str, 'Name of the symmetry operator applied to this element.'),
-        operatorKey: atomProp(Type.Num, 'Key of the symmetry operator applied to this element.'),
        modelIndex: atomProp(Type.Num, 'Index of the model in the input file.'),
        modelLabel: atomProp(Type.Str, 'Label/header of the model in the input file.')
    },
--- a/src/mol-script/runtime/query/table.ts
+++ b/src/mol-script/runtime/query/table.ts
@@ -299,7 +299,6 @@ const symbols = [
    D(MolScript.structureQuery.atomProperty.core.z, atomProp(StructureProperties.atom.z)),
    D(MolScript.structureQuery.atomProperty.core.sourceIndex, atomProp(StructureProperties.atom.sourceIndex)),
    D(MolScript.structureQuery.atomProperty.core.operatorName, atomProp(StructureProperties.unit.operator_name)),
-    D(MolScript.structureQuery.atomProperty.core.operatorKey, atomProp(StructureProperties.unit.operator_key)),
    D(MolScript.structureQuery.atomProperty.core.modelIndex, atomProp(StructureProperties.unit.model_index)),
    D(MolScript.structureQuery.atomProperty.core.modelLabel, atomProp(StructureProperties.unit.model_label)),
    D(MolScript.structureQuery.atomProperty.core.atomKey, (ctx, xs) => {
--- a/src/mol-script/script/mol-script/symbols.ts
+++ b/src/mol-script/script/mol-script/symbols.ts
@@ -1,8 +1,7 @@
 /**
- * Copyright (c) 2018-2022 Mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2018 Mol* contributors, licensed under MIT, See LICENSE file for more info.
 *
 * @author David Sehnal <david.sehnal@gmail.com>
- * @author Alexander Rose <alexander.rose@weirdbyte.de>
 */

 import { UniqueArray } from '../../../mol-data/generic';
@@ -206,7 +205,6 @@ export const SymbolTable = [
            Alias(MolScript.structureQuery.atomProperty.core.z, 'atom.z'),
            Alias(MolScript.structureQuery.atomProperty.core.sourceIndex, 'atom.src-index'),
            Alias(MolScript.structureQuery.atomProperty.core.operatorName, 'atom.op-name'),
-            Alias(MolScript.structureQuery.atomProperty.core.operatorKey, 'atom.op-key'),
            Alias(MolScript.structureQuery.atomProperty.core.modelIndex, 'atom.model-index'),
            Alias(MolScript.structureQuery.atomProperty.core.modelLabel, 'atom.model-label'),
            Alias(MolScript.structureQuery.atomProperty.core.atomKey, 'atom.key'),
@@ -255,7 +253,6 @@ export const SymbolTable = [
            'Bond Properties',
            Alias(MolScript.structureQuery.bondProperty.order, 'bond.order'),
            Alias(MolScript.structureQuery.bondProperty.length, 'bond.length'),
-            Alias(MolScript.structureQuery.bondProperty.key, 'bond.key'),
            Alias(MolScript.structureQuery.bondProperty.atomA, 'bond.atom-a'),
            Alias(MolScript.structureQuery.bondProperty.atomB, 'bond.atom-b'),
            Macro(MSymbol('bond.is', Arguments.List(StructureQueryTypes.BondFlag), Type.Bool,
--- a/src/mol-theme/color.ts
+++ b/src/mol-theme/color.ts
@@ -40,7 +40,6 @@ import { VolumeValueColorThemeProvider } from './color/volume-value';
 import { Vec3, Vec4 } from '../mol-math/linear-algebra';
 import { ModelIndexColorThemeProvider } from './color/model-index';
 import { StructureIndexColorThemeProvider } from './color/structure-index';
-import { ExternalVolumeColorThemeProvider } from './color/external-volume';

 export type LocationColor = (location: Location, isSecondary: boolean) => Color

@@ -153,7 +152,6 @@ namespace ColorTheme {
        'unit-index': UnitIndexColorThemeProvider,
        'uniform': UniformColorThemeProvider,
        'volume-value': VolumeValueColorThemeProvider,
-        'external-volume': ExternalVolumeColorThemeProvider,
    };
    type _BuiltIn = typeof BuiltIn
    export type BuiltIn = keyof _BuiltIn
--- a/src/mol-theme/color/external-volume.ts
+++ b/src/mol-theme/color/external-volume.ts
@@ -1,159 +0,0 @@
-/**
- * Copyright (c) 2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
- *
- * @author David Sehnal <david.sehnal@gmail.com>
- */
-
-import { Color, ColorScale } from '../../mol-util/color';
-import { Location } from '../../mol-model/location';
-import { ColorTheme } from '../color';
-import { ParamDefinition as PD } from '../../mol-util/param-definition';
-import { ThemeDataContext } from '../theme';
-import { Grid, Volume } from '../../mol-model/volume';
-import { type PluginContext } from '../../mol-plugin/context';
-import { isPositionLocation } from '../../mol-geo/util/location-iterator';
-import { Mat4, Vec3 } from '../../mol-math/linear-algebra';
-import { lerp } from '../../mol-math/interpolate';
-
-const Description = `Assigns a color based volume value at a given vertex.`;
-
-export const ExternalVolumeColorThemeParams = {
-    volume: PD.ValueRef<Volume>(
-        (ctx: PluginContext) => {
-            const volumes = ctx.state.data.selectQ(q => q.root.subtree().filter(c => Volume.is(c.obj?.data)));
-            return volumes.map(v => [v.transform.ref, v.obj?.label ?? '<unknown>'] as [string, string]);
-        },
-        (ref, getData) => getData(ref),
-    ),
-    coloring: PD.MappedStatic('absolute-value', {
-        'absolute-value': PD.Group({
-            domain: PD.MappedStatic('auto', {
-                custom: PD.Interval([-1, 1]),
-                auto: PD.Group({
-                    symmetric: PD.Boolean(false, { description: 'If true the automatic range is determined as [-|max|, |max|].' })
-                })
-            }),
-            list: PD.ColorList('red-white-blue', { presetKind: 'scale' })
-        }),
-        'relative-value': PD.Group({
-            domain: PD.MappedStatic('auto', {
-                custom: PD.Interval([-1, 1]),
-                auto: PD.Group({
-                    symmetric: PD.Boolean(false, { description: 'If true the automatic range is determined as [-|max|, |max|].' })
-                })
-            }),
-            list: PD.ColorList('red-white-blue', { presetKind: 'scale' })
-        })
-    }),
-    defaultColor: PD.Color(Color(0xcccccc)),
-};
-export type ExternalVolumeColorThemeParams = typeof ExternalVolumeColorThemeParams
-
-export function ExternalVolumeColorTheme(ctx: ThemeDataContext, props: PD.Values<ExternalVolumeColorThemeParams>): ColorTheme<ExternalVolumeColorThemeParams> {
-    let volume: Volume | undefined;
-    try {
-        volume = props.volume.getValue();
-    } catch {
-        // .getValue() is resolved during state reconciliation => would throw from UI
-    }
-
-    // NOTE: this will currently be slow for with GPU/texture meshes due to slow iteration
-    // TODO: create texture to be able to do the sampling on the GPU
-
-    let color;
-    if (volume) {
-        const coloring = props.coloring.params;
-        const { stats } = volume.grid;
-        const domain: [number, number] = coloring.domain.name === 'custom' ? coloring.domain.params : [stats.min, stats.max];
-
-        const isRelative = props.coloring.name === 'relative-value';
-        if (coloring.domain.name === 'auto' && isRelative) {
-            domain[0] = (domain[0] - stats.mean) / stats.sigma;
-            domain[1] = (domain[1] - stats.mean) / stats.sigma;
-        }
-
-        if (props.coloring.params.domain.name === 'auto' && props.coloring.params.domain.params.symmetric) {
-            const max = Math.max(Math.abs(domain[0]), Math.abs(domain[1]));
-            domain[0] = -max;
-            domain[1] = max;
-        }
-
-        const scale = ColorScale.create({ domain, listOrName: coloring.list.colors });
-
-        const cartnToGrid = Grid.getGridToCartesianTransform(volume.grid);
-        Mat4.invert(cartnToGrid, cartnToGrid);
-        const gridCoords = Vec3();
-
-        const { dimensions, get } = volume.grid.cells.space;
-        const data = volume.grid.cells.data;
-
-        const [mi, mj, mk] = dimensions;
-
-        color = (location: Location): Color => {
-            if (!isPositionLocation(location)) {
-                return props.defaultColor;
-            }
-
-            Vec3.copy(gridCoords, location.position);
-            Vec3.transformMat4(gridCoords, gridCoords, cartnToGrid);
-
-            const i = Math.floor(gridCoords[0]);
-            const j = Math.floor(gridCoords[1]);
-            const k = Math.floor(gridCoords[2]);
-
-            if (i < 0 || i >= mi || j < 0 || j >= mj || k < 0 || k >= mk) {
-                return props.defaultColor;
-            }
-
-            const u = gridCoords[0] - i;
-            const v = gridCoords[1] - j;
-            const w = gridCoords[2] - k;
-
-            // Tri-linear interpolation for the value
-            const ii = Math.min(i + 1, mi - 1);
-            const jj = Math.min(j + 1, mj - 1);
-            const kk = Math.min(k + 1, mk - 1);
-
-            let a = get(data, i, j, k);
-            let b = get(data, ii, j, k);
-            let c = get(data, i, jj, k);
-            let d = get(data, ii, jj, k);
-            const x = lerp(lerp(a, b, u), lerp(c, d, u), v);
-
-            a = get(data, i, j, kk);
-            b = get(data, ii, j, kk);
-            c = get(data, i, jj, kk);
-            d = get(data, ii, jj, kk);
-            const y = lerp(lerp(a, b, u), lerp(c, d, u), v);
-
-            let value = lerp(x, y, w);
-            if (isRelative) {
-                value = (value - stats.mean) / stats.sigma;
-            }
-
-            return scale.color(value);
-        };
-    } else {
-        color = () => props.defaultColor;
-    }
-
-    return {
-        factory: ExternalVolumeColorTheme,
-        granularity: 'vertex',
-        preferSmoothing: true,
-        color,
-        props,
-        description: Description,
-        // TODO: figure out how to do legend for this
-    };
-}
-
-export const ExternalVolumeColorThemeProvider: ColorTheme.Provider<ExternalVolumeColorThemeParams, 'external-volume'> = {
-    name: 'external-volume',
-    label: 'External Volume',
-    category: ColorTheme.Category.Misc,
-    factory: ExternalVolumeColorTheme,
-    getParams: () => ExternalVolumeColorThemeParams,
-    defaultValues: PD.getDefaultValues(ExternalVolumeColorThemeParams),
-    isApplicable: (ctx: ThemeDataContext) => true,
-};
--- a/src/mol-util/param-definition.ts
+++ b/src/mol-util/param-definition.ts
@@ -290,9 +290,9 @@ export namespace ParamDefinition {
    // getValue needs to be assigned by a runtime because it might not be serializable
    export interface ValueRef<T = any> extends Base<{ ref: string, getValue: () => T }> {
        type: 'value-ref',
-        resolveRef: (ref: string, getData: (ref: string) => any) => T,
+        resolveRef: (ref: string) => T,
        // a provider because the list changes over time
-        getOptions: (ctx: any) => Select<string>['options'],
+        getOptions: () => Select<string>['options'],
    }
    export function ValueRef<T>(getOptions: ValueRef['getOptions'], resolveRef: ValueRef<T>['resolveRef'], info?: Info & { defaultRef?: string }) {
        return setInfo<ValueRef<T>>({ type: 'value-ref', defaultValue: { ref: info?.defaultRef ?? '', getValue: unsetGetValue as any }, getOptions, resolveRef }, info);
@@ -365,8 +365,8 @@ export namespace ParamDefinition {
        return d as Values<T>;
    }

-    function _resolveRef(resolve: (ref: string, getData: (ref: string) => any) => any, ref: string, getData: (ref: string) => any) {
-        return () => resolve(ref, getData);
+    function _resolveRef(resolve: (ref: string) => any, ref: string) {
+        return () => resolve(ref);
    }

    function resolveRefValue(p: Any, value: any, getData: (ref: string) => any) {
@@ -375,11 +375,11 @@ export namespace ParamDefinition {
        if (p.type === 'value-ref') {
            const v = value as ValueRef['defaultValue'];
            if (!v.ref) v.getValue = () => { throw new Error('Unset ref in ValueRef value.'); };
-            else v.getValue = _resolveRef(p.resolveRef, v.ref, getData);
+            else v.getValue = _resolveRef(p.resolveRef, v.ref);
        } else if (p.type === 'data-ref') {
            const v = value as ValueRef['defaultValue'];
            if (!v.ref) v.getValue = () => { throw new Error('Unset ref in ValueRef value.'); };
-            else v.getValue = _resolveRef(getData, v.ref, getData);
+            else v.getValue = _resolveRef(getData, v.ref);
        } else if (p.type === 'group') {
            resolveRefs(p.params, value, getData);
        } else if (p.type === 'mapped') {
Author	SHA1	Message	Date
Alexander Rose	3667092327	tweak cube clamp param	2022-11-08 22:28:47 -08:00
Alexander Rose	842824057b	add param to clamp cube values	2022-11-08 22:17:23 -08:00