5.0.0-dev.12

* MVS: Color map interpolation

* print validation errors to plugin log

* fixes

* background postprocessing

* fix resetCanvasProps

* fix link

* add example

CHANGELOG.md

@@ -24,7 +24,7 @@ Note that since we don't clearly distinguish between a public and private interf
   - `representation` node: support custom property `molstar_representation_params`
   - Add `backbone` and `line` representation types
   - `primitives` node: support custom property `molstar_mesh/label/line_params`
-  - `canvas` node: support custom property `molstar_postprocessing` with the ability to customize outline, depth of field, bloom, shadow, occlusion (SSAO), and fog
+  - `canvas` node: support custom property `molstar_postprocessing` with the ability to customize outline, depth of field, bloom, shadow, occlusion (SSAO), fog, and background
   - `clip` node support for structure and volume representations
   - `grid_slice` representation support for volumes
   - Support tethers and background for primitive labels
@@ -44,6 +44,7 @@ Note that since we don't clearly distinguish between a public and private interf
   - Support loading trajectory coordinates from separate nodes
   - Trigger markdown commands from primitives using `molstar_markdown_commands` custom extensions
   - Support `molstar_on_load_markdown_commands` custom state on the `root` node
+  - Print tree validation errors to plugin log
 - Added new color schemes, synchronized with D3.js ('inferno', 'magma', 'turbo', 'rainbow', 'sinebow', 'warm', 'cool', 'cubehelix-default', 'category-10', 'observable-10', 'tableau-10')
 - Snapshot Markdown improvements
   - Add `MarkdownExtensionManager` (`PluginContext.managers.markdownExtensions`)
@@ -100,6 +101,7 @@ Note that since we don't clearly distinguish between a public and private interf
 - Add plugin config item ShowReset (shows/hides "Reset Zoom" button)
 - Fix transform params not being normalized when used together with param hash version
 - Replace `immer` with `mutative`
+- Fix renderer transparency check
 
 ## [v4.18.0] - 2025-06-08
 - MolViewSpec extension:

package-lock.json

@@ -1,12 +1,12 @@
 {
   "name": "molstar",
-  "version": "5.0.0-dev.10",
+  "version": "5.0.0-dev.12",
   "lockfileVersion": 3,
   "requires": true,
   "packages": {
     "": {
       "name": "molstar",
-      "version": "5.0.0-dev.10",
+      "version": "5.0.0-dev.12",
       "license": "MIT",
       "dependencies": {
         "@types/argparse": "^2.0.17",

package.json

@@ -1,6 +1,6 @@
 {
   "name": "molstar",
-  "version": "5.0.0-dev.10",
+  "version": "5.0.0-dev.12",
   "description": "A comprehensive macromolecular library.",
   "homepage": "https://github.com/molstar/molstar#readme",
   "repository": {
@@ -122,7 +122,8 @@
     "Lukáš Polák <admin@lukaspolak.cz>",
     "Chetan Mishra <chetan.s115@gmail.com>",
     "Zach Charlop-Powers <zach.charlop.powers@gmail.com>",
-    "Kim Juho <juho_kim@outlook.com>"
+    "Kim Juho <juho_kim@outlook.com>",
+    "Victoria Doshchenko <doshchenko.victoria@gmail.com>"
   ],
   "license": "MIT",
   "devDependencies": {

src/cli/mvs/mvs-print-schema.ts

@@ -11,7 +11,7 @@
  */
 
 import { ArgumentParser } from 'argparse';
-import { treeSchemaToMarkdown, treeSchemaToString } from '../../extensions/mvs/tree/generic/tree-schema';
+import { treeSchemaToMarkdown, treeSchemaToString } from '../../extensions/mvs/tree/generic/tree-validation';
 import { MVSTreeSchema } from '../../extensions/mvs/tree/mvs/mvs-tree';
 
 

src/examples/mvs-stories/stories/animation.ts

@@ -111,12 +111,28 @@ A story showcasing MolViewSpec animation capabilities.
             const builder = createMVSBuilder();
 
             const _1cbs = structure(builder, '1cbs');
-            const [poly,] = polymer(_1cbs, { color: Colors['1cbs'] });
+            const [poly, repr] = polymer(_1cbs, { color: Colors['1cbs'] });
+
+            repr.colorFromSource({
+                ref: 'residue_colors',
+                schema: 'residue',
+                category_name: 'atom_site',
+                field_name: 'label_comp_id',
+                palette: {
+                    kind: 'categorical',
+                    missing_color: 'white',
+                    colors: {
+                        ALA: 'red',
+                        ILE: 'white',
+                        LYS: 'white',
+                    }
+                }
+            });
 
             const surface = poly.representation({
                 type: 'surface',
                 surface_type: 'gaussian',
-            });
+            }).opacity({ opacity: 0.33 });
 
             _1cbs.component({ selector: 'ligand' })
                 .transform({
@@ -190,6 +206,20 @@ A story showcasing MolViewSpec animation capabilities.
                 end: Colors['ligand-docked'],
             });
 
+            anim.interpolate({
+                kind: 'color',
+                target_ref: 'residue_colors',
+                duration_ms: 2000,
+                property: ['palette', 'colors'],
+                start: {
+                    ALA: 'yellow',
+                },
+                end: {
+                    ILE: 'blue',
+                    LYS: 'purple',
+                },
+            });
+
             return builder;
         },
         camera: {
@@ -311,10 +341,12 @@ function structure(builder: Root, id: string): MVSStructure {
         .modelStructure();
 }
 
-function polymer(structure: MVSStructure, options: { color: ColorT }) {
+function polymer(structure: MVSStructure, options?: { color?: ColorT }) {
     const component = structure.component({ selector: { label_asym_id: 'A' } });
     const reprensentation = component.representation({ type: 'cartoon' });
-    reprensentation.color({ color: options.color });
+    if (options?.color) {
+        reprensentation.color({ color: options.color });
+    }
     return [component, reprensentation] as const;
 }
 
@@ -332,6 +364,21 @@ export function buildStory(): MVSData_States {
                 molstar_postprocessing: {
                     enable_outline: true,
                     enable_ssao: true,
+                    background: {
+                        name: 'horizontalGradient',
+                        params: {
+                            topColor: 0x777777,
+                            bottomColor: 0xffffff,
+                        }
+                    },
+                    // Example with background image:
+                    // background: {
+                    //     name: 'image',
+                    //     params: {
+                    //         // URL can also be filename in MVSX archive
+                    //         source: { name: 'url', params: 'URL' }
+                    //     }
+                    // }
                 }
             }
         });

src/examples/mvs-stories/stories/motm1.ts

@@ -3,6 +3,7 @@
  *
  * @author David Sehnal <david.sehnal@gmail.com>
  * @author Ludovic Autin <autin@scripps.edu>
+ * @author Victoria Doshchenko <doshchenko.victoria@gmail.com>
  */
 
 import { decodeColor } from '../../../extensions/mvs/helpers/utils';
@@ -84,15 +85,21 @@ const _Audio4 = audioPathBase + '/examples/audio/AudioMOM1_D.mp3';
 const q = (expr: string, lang = 'pymol') =>
     `!query=${encodeURIComponent(expr)}&lang=${lang}&action=highlight,focus`;
 
-const description_intro = `
-# Molecule of the Month: Myoglobin
+const desc_intro = `
+# Introduction
+
 A story based on the orginal [first Molecule of the Month](https://pdb101.rcsb.org/motm/1) made by David Goodsell in January 2000.
 
+🔊 *This story includes short audio commentaries to guide you through the structures.*  
+For the best experience, please keep your sound on or use headphones.  
+
+`;
+
+const description_p0 = `
+# Molecule of the Month: Myoglobin
 
 Basic controls for the audio comments:
-[Play](${encodeURIComponent(`!play-audio=${_Audio1}`)})
-[Pause](!pause-audio)
-[Stop](!stop-audio)
+${createAudioControls(_Audio1)}
 
 Myoglobin was the first protein to have its atomic structure determined, revealing how it stores oxygen in muscle cells.
 
@@ -161,9 +168,7 @@ const charged_residues = q(formatMolScript(query3), 'mol-script');
 const description_p1 = `
 # Myoglobin and Whales
 Basic controls for the audio comments:
-[Play](${encodeURIComponent(`!play-audio=${_Audio2}`)})
-[Pause](!pause-audio)
-[Stop](!stop-audio)
+${createAudioControls(_Audio2)}
 
 If you look at John Kendrew's PDB file, you'll notice that the myoglobin he used was taken 
 from sperm whale muscles. Whales and dolphin have a great need for myoglobin, so that they can 
@@ -184,9 +189,7 @@ high concentrations.
 const description_p2 = `
 # Oxygen Bound to Myoglobin
 Basic controls for the audio comments:
-[Play](${encodeURIComponent(`!play-audio=${_Audio3}`)})
-[Pause](!pause-audio)
-[Stop](!stop-audio)
+${createAudioControls(_Audio3)}
 
 A later structure of myoglobin, PDB entry [1mbo](https://www.rcsb.org/structure/1mbo), 
 shows that [oxygen](${q('index 1276+1277')}) binds to 
@@ -202,9 +205,7 @@ appear and disappear, allowing oxygen in and out.
 const description_p3 = `
 # Molecule of the Month: Myoglobin
 Basic controls for the audio comments:
-[Play](${encodeURIComponent(`!play-audio=${_Audio1}`)})
-[Pause](!pause-audio)
-[Stop](!stop-audio)
+${createAudioControls(_Audio4)}
 
 The atomic structure of myoglobin revealed many of the basic principles 
 of protein structure and stability. For instance, the structure showed 
@@ -235,10 +236,67 @@ PDB entry [2jho](https://www.rcsb.org/structure/2jho) includes myoglobin poisone
 `;
 
 const Steps = [
+    {
+        header: 'Introduction',
+        key: 'first-slide',
+        description: desc_intro,
+        linger_duration_ms: 0,
+        state: (): Root => {
+            const builder = createMVSBuilder();
+            const _1mbn = build1mbn(builder, '1MBN');
+
+            builder.extendRootCustomState({
+                molstar_on_load_markdown_commands: {
+                    'dispose-audio': _Audio1,
+                }
+            });
+
+            const anim = builder.animation(
+                {
+                    custom: {
+                        molstar_trackball: {
+                            name: 'spin',
+                            params: { speed: -0.05 },
+                        }
+                    }
+                }
+            );
+
+            const prims = _1mbn.struct.primitives({
+                ref: 'start-story',
+                label_opacity: 0,
+                label_background_color: 'grey',
+                snapshot_key: 'intro'
+            });
+            prims.label({
+                text: 'Start story',
+                position: [13.5, -4, 7.7],
+                label_size: 8
+            });
+
+            anim.interpolate({
+                kind: 'scalar',
+                target_ref: 'start-story',
+                duration_ms: 1000,
+                start_ms: 1,
+                property: 'label_opacity',
+                start: 0.0,
+                end: 1.0,
+            });
+
+
+            return builder;
+        },
+        camera: {
+            position: [13.5, 21.1, 73.1],
+            target: [13.5, 21.1, 7.7],
+            up: [0, 1, 0],
+        } satisfies MVSNodeParams<'camera'>,
+    },
     {
         header: 'Molecule of the Month: Myoglobin',
         key: 'intro',
-        description: description_intro,
+        description: description_p0,
         linger_duration_ms: 45000,
         transition_duration_ms: 500,
         state: (): Root => {
@@ -247,39 +305,10 @@ const Steps = [
 
             builder.canvas({ custom: { molstar_postprocessing: { enable_outline: false } } });
 
-            const _1mbn = structure(builder, '1MBN');
-
-            _1mbn.component({ selector: 'ligand' })
-                .representation({ ref: 'ligand', type: 'ball_and_stick' })
-                .color({ color: 'orange' });
-            // FE and O should be spacefill
-
-            _1mbn.component({ selector: { auth_seq_id: 155, label_atom_id: 'F' } })
-                .representation({ type: 'spacefill' })
-                .color({ color: 'yellow' });
-
-            _1mbn.component({ selector: { auth_seq_id: 154 } })
-                .representation({ type: 'spacefill' })
-                .color({ color: 'blue' });
-
-            _1mbn.component({ selector: { auth_seq_id: 154 } })
-                .representation({ type: 'spacefill' })
-                .color({ color: 'blue' });
-
-            const chA = _1mbn.component({ selector: { label_asym_id: 'A' } });
-            chA.representation({ type: 'surface', surface_type: 'gaussian' })
-                .color({ color: '#ff0303' })
-                .opacity({ ref: 'surfopa', opacity: 0.0 });
-
-            chA.representation({ type: 'line' })
-                .color({ custom: { molstar_color_theme_name: 'element-symbol' } })
-                .opacity({ ref: 'lineopa', opacity: 0.0 });
-
-            chA.representation({ type: 'cartoon' })
-                .color({ custom: { molstar_color_theme_name: 'secondary-structure' } });
+            const _1mbn = build1mbn(builder, '1MBN');
 
             // whale
-            _1mbn.component({ selector: { label_asym_id: 'A' } })
+            _1mbn.struct.component({ selector: { label_asym_id: 'A' } })
                 .representation({ type: 'spacefill', custom: { molstar_representation_params: { ignoreLight: true } } })
                 .colorFromSource({
                     schema: 'all_atomic',
@@ -296,29 +325,12 @@ const Steps = [
                     }
                 }).opacity({ ref: 'cpkopa1', opacity: 0.0 });
 
-            _1mbn.component({ selector: { auth_seq_id: 155 } })
+            _1mbn.struct.component({ selector: { auth_seq_id: 155 } })
                 .representation({ type: 'spacefill', custom: { molstar_representation_params: { ignoreLight: true } } })
                 .color({ custom: GColors2 }).opacity({ ref: 'cpkopa2', opacity: 0.0 });
 
-            const prims = _1mbn.primitives({
-                ref: 'prims',
-                label_opacity: 1,
-                label_background_color: 'grey',
-                custom: {
-                    molstar_markdown_commands: {
-                        // 'apply-snapshot': 'interlude',
-                        'play-audio': _Audio1,
-                    }
-                }
-            });
-            prims.label({
-                text: 'Start Comments',
-                position: [13.5, 45.1, 7.7],
-                label_size: 5
-            });
-            addNextButton(builder, 'whale', [13.5, 0, 7.7]);
+            addNextButton(builder, 'whale', [13.5, -4, 7.7]);
 
-            // doesnt work for first slide, but work afterward
             builder.extendRootCustomState({
                 molstar_on_load_markdown_commands: {
                     'play-audio': _Audio1,
@@ -543,7 +555,7 @@ const Steps = [
                 start: 0.0,
                 end: 1.0,
             });
-            addNextButton(builder, 'oxygen', [-18.9, 10, 7.3]);
+            addNextButton(builder, 'oxygen', [-18.9, -4, 7.3]);
             anim.interpolate({
                 kind: 'scalar',
                 target_ref: 'next',
@@ -897,7 +909,7 @@ function addNextButton(builder: any, snapshotKey: string, position: [number, num
         .label({
             ref: 'next_label',
             position: position,
-            text: 'Click me to go next',
+            text: 'Next Scene →',
             label_color: 'white',
             label_size: 5
         });
@@ -955,4 +967,54 @@ export function buildStory(): MVSData_States {
             timestamp: new Date().toISOString(),
         }
     };
+}
+
+function build1mbn(builder: any, pdbId: string) {
+    const struct = structure(builder, '1MBN');
+
+    struct.component({ selector: 'ligand' })
+        .representation({ ref: 'ligand', type: 'ball_and_stick' })
+        .color({ color: 'orange' });
+
+    // FE and O should be spacefill
+    struct.component({ selector: { auth_seq_id: 155, label_atom_id: 'FE' } })
+        .representation({ type: 'spacefill' })
+        .color({ color: 'yellow' });
+
+    struct.component({ selector: { auth_seq_id: 154 } })
+        .representation({ type: 'spacefill' })
+        .color({ color: 'blue' });
+
+    struct.component({ selector: { auth_seq_id: 154 } })
+        .representation({ type: 'spacefill' })
+        .color({ color: 'blue' });
+
+    const chA = struct.component({ selector: { label_asym_id: 'A' } });
+    chA.representation({ type: 'surface', surface_type: 'gaussian' })
+        .color({ color: '#ff0303' })
+        .opacity({ ref: 'surfopa', opacity: 0.0 });
+
+    chA.representation({ type: 'line' })
+        .color({ custom: { molstar_color_theme_name: 'element-symbol' } })
+        .opacity({ ref: 'lineopa', opacity: 0.0 });
+
+    chA.representation({ type: 'cartoon' })
+        .color({ custom: { molstar_color_theme_name: 'secondary-structure' } });
+
+    return {
+        struct,
+        refs: {
+            surfaceOpacity: 'surfopa',
+            lineOpacity: 'lineopa',
+        }
+    };
+}
+
+function createAudioControls(url: string) {
+    return `
+  [‹ **▶ Play** ›](${encodeURIComponent(`!play-audio=${url}`)})
+  [‹ **⏸ Pause** ›](!pause-audio)
+  [‹ **⏹ Stop** ›](!stop-audio)
+  [‹ **Hide** ›](!dispose-audio)
+  `;
 }

src/extensions/mvs/README.md

@@ -1 +1 @@
-Find the MVS extension documentation [here](../../../docs/extensions/mvs/README.md).
+Please refer to the standalone documentation [here](https://molstar.org/mol-view-spec-docs/).

src/extensions/mvs/camera.ts

@@ -8,6 +8,7 @@
 import { Camera } from '../../mol-canvas3d/camera';
 import { CameraFogParams, Canvas3DParams, Canvas3DProps, DefaultCanvas3DParams } from '../../mol-canvas3d/canvas3d';
 import { TrackballControlsParams } from '../../mol-canvas3d/controls/trackball';
+import { BackgroundParams } from '../../mol-canvas3d/passes/background';
 import { BloomParams } from '../../mol-canvas3d/passes/bloom';
 import { DofParams } from '../../mol-canvas3d/passes/dof';
 import { OutlineParams } from '../../mol-canvas3d/passes/outline';
@@ -21,6 +22,7 @@ import { PluginState } from '../../mol-plugin/state';
 import { StateObjectSelector } from '../../mol-state';
 import { fovAdjustedPosition } from '../../mol-util/camera';
 import { ColorNames } from '../../mol-util/color/names';
+import { deepClone } from '../../mol-util/object';
 import { ParamDefinition } from '../../mol-util/param-definition';
 import { decodeColor } from './helpers/utils';
 import { MolstarLoadingContext } from './load';
@@ -132,6 +134,11 @@ function optionalParams(enable: boolean | undefined, values: any, params: ParamD
     return fallback;
 }
 
+function normalizeBackground(variant: any, prev: any): any {
+    if (!variant) return prev;
+    return ParamDefinition.normalizeParams(BackgroundParams, { variant }, 'children');
+}
+
 /** Create a deep copy of `oldCanvasProps` with values modified according to a canvas node params. */
 export function modifyCanvasProps(oldCanvasProps: Canvas3DProps, canvasNode: MolstarNode<'canvas'> | undefined, animationNode: MVSAnimationNode<'animation'> | undefined): Canvas3DProps {
     const params = canvasNode?.params;
@@ -157,6 +164,8 @@ export function modifyCanvasProps(oldCanvasProps: Canvas3DProps, canvasNode: Mol
     const bloom = molstar_postprocessing?.enable_bloom;
     const bloomParams = molstar_postprocessing?.bloom_params;
 
+    const background = molstar_postprocessing?.background;
+
     const trackballAnimation = animationNode?.custom?.molstar_trackball;
     const trackballAnimationName = trackballAnimation?.name;
     const trackballAnimationParams = trackballAnimation?.params ?? {};
@@ -170,6 +179,7 @@ export function modifyCanvasProps(oldCanvasProps: Canvas3DProps, canvasNode: Mol
             occlusion: optionalParams(occlusion, occlusionParams, SsaoParams, oldCanvasProps.postprocessing.occlusion),
             dof: optionalParams(dof, dofParams, DofParams, oldCanvasProps.postprocessing.dof),
             bloom: optionalParams(bloom, bloomParams, BloomParams, oldCanvasProps.postprocessing.bloom),
+            background: normalizeBackground(background, oldCanvasProps.postprocessing.background),
         },
         cameraFog: optionalParams(fog, fogParams, CameraFogParams, oldCanvasProps.cameraFog),
         renderer: {
@@ -200,13 +210,14 @@ export function resetCanvasProps(plugin: PluginContext) {
         ...old,
         postprocessing: {
             ...old,
-            outline: DefaultCanvas3DParams.postprocessing.outline,
-            shadow: DefaultCanvas3DParams.postprocessing.shadow,
-            occlusion: DefaultCanvas3DParams.postprocessing.occlusion,
-            dof: DefaultCanvas3DParams.postprocessing.dof,
-            bloom: DefaultCanvas3DParams.postprocessing.bloom,
+            outline: deepClone(DefaultCanvas3DParams.postprocessing.outline),
+            shadow: deepClone(DefaultCanvas3DParams.postprocessing.shadow),
+            occlusion: deepClone(DefaultCanvas3DParams.postprocessing.occlusion),
+            dof: deepClone(DefaultCanvas3DParams.postprocessing.dof),
+            bloom: deepClone(DefaultCanvas3DParams.postprocessing.bloom),
+            background: deepClone(DefaultCanvas3DParams.postprocessing.background),
         },
-        cameraFog: DefaultCanvas3DParams.cameraFog,
+        cameraFog: deepClone(DefaultCanvas3DParams.cameraFog),
         trackball: {
             ...old?.trackball,
             animate: { name: 'off', params: {} },

src/extensions/mvs/helpers/animation.ts

@@ -12,6 +12,7 @@ import { EPSILON, Mat3, Mat4, Quat, Vec3 } from '../../../mol-math/linear-algebr
 import { RuntimeContext } from '../../../mol-task';
 import { deepEqual } from '../../../mol-util';
 import { Color } from '../../../mol-util/color';
+import { decodeColor } from '../../../mol-util/color/utils';
 import { produce } from '../../../mol-util/produce';
 import { makeContinuousPaletteCheckpoints, MVSContinuousPaletteProps, MVSDiscretePaletteProps } from '../components/annotation-color-theme';
 import { palettePropsFromMVSPalette } from '../load-helpers';
@@ -88,6 +89,8 @@ const EasingFnMap: Record<MVSAnimationEasing, (t: number) => number> = {
 
 interface InterpolationCacheEntry {
     paletteFn?: (value: number) => Color,
+    startColor?: Color | Record<number | string, Color>,
+    endColor?: Color | Record<number | string, Color>,
     rotation?: { axis: Vec3, angle: number, start: Quat, end: Quat },
 }
 
@@ -203,22 +206,15 @@ function processScalarLike(transition: MVSAnimationNode<'interpolate'>, target:
     if (transition.params.kind === 'transform_matrix') return;
     if (previous && previous.params.kind === 'transform_matrix') return;
 
-    const startBase = transition.params.start ?? getPreviousScalarEnd(previous) ?? select(target, transition.params.property, offset);
+    const startValue = transition.params.start ?? getPreviousScalarEnd(previous) ?? select(target, transition.params.property, offset);
     if (transition.params.kind === 'color' && !cacheEntry.paletteFn) {
-        cacheEntry.paletteFn = makePaletteFunction(transition, startBase, transition.params.end as ColorT | undefined);
+        cacheEntry.paletteFn = makePaletteFunction(transition);
     }
 
-    const paletteFn = cacheEntry.paletteFn!;
-
-    const startValue: any = transition.params.kind === 'color'
-        ? Color.toHexStyle(paletteFn(0))
-        : startBase;
-    const endValue: any = transition.params.kind === 'color'
-        ? Color.toHexStyle(paletteFn(1))
-        : transition.params.end;
+    const endValue: any = transition.params.end;
 
     if (time <= 0) return startValue;
-    else if (time >= 1 - EPSILON && !transition.params.alternate_direction) return endValue;
+    else if (time >= 1 - EPSILON && !transition.params.alternate_direction && transition.params.kind !== 'color') return endValue;
 
     let t = clamp(time, 0, 1);
     t = applyFrequency(t, transition.params.frequency ?? 1, !!transition.params.alternate_direction);
@@ -233,8 +229,13 @@ function processScalarLike(transition: MVSAnimationNode<'interpolate'>, target:
     } else if (transition.params.kind === 'rotation_matrix') {
         return interpolateRotation(startValue, endValue, t, transition.params.noise_magnitude ?? 0, cacheEntry);
     } else if (transition.params.kind === 'color') {
-        const color = paletteFn(t);
-        return Color.toHexStyle(color);
+        if (cacheEntry.paletteFn) {
+            const color = cacheEntry.paletteFn(t);
+            return Color.toHexStyle(color);
+        }
+
+        const baseColors = typeof startValue === 'object' ? select(target, transition.params.property, offset) : undefined;
+        return interpolateColors(startValue, endValue, t, cacheEntry, baseColors);
     }
 }
 
@@ -441,6 +442,76 @@ function interpolateRotation(start: Mat3, end: Mat3 | undefined, t: number, nois
     return Mat3.fromMat4(Mat3(), RotationState.temp);
 }
 
+function decodeColors(color: ColorT | Record<number | string, ColorT> | undefined, baseColors: Record<number | string, ColorT> | undefined) {
+    if (color === undefined || color === null) return undefined;
+
+    if (typeof color === 'object') {
+        const ret: Record<number | string, Color> = {};
+        if (baseColors) {
+            for (const key of Object.keys(baseColors)) {
+                const decoded = decodeColor(baseColors[key]);
+                if (decoded !== undefined) {
+                    ret[key] = decoded;
+                }
+            }
+        }
+        for (const key of Object.keys(color)) {
+            const decoded = decodeColor(color[key]);
+            if (decoded !== undefined) {
+                ret[key] = decoded;
+            }
+        }
+        return ret;
+    }
+
+    return decodeColor(color);
+}
+
+function interpolateColors(start: ColorT | Record<number, ColorT>, end: ColorT | Record<number, ColorT> | undefined, time: number, cacheEntry: InterpolationCacheEntry, baseColors: Record<number, ColorT> | undefined) {
+    const t = clamp(time, 0, 1);
+
+    if (cacheEntry.paletteFn) {
+        const c = cacheEntry.paletteFn(t);
+        return Color.toHexStyle(c);
+    }
+
+    if (cacheEntry.startColor === undefined) {
+        cacheEntry.startColor = decodeColors(start, baseColors);
+    }
+    if (cacheEntry.endColor === undefined) {
+        cacheEntry.endColor = decodeColors(end, undefined);
+    }
+
+    const { startColor, endColor } = cacheEntry;
+
+    if (typeof startColor === 'object') {
+        if (typeof baseColors !== 'object') {
+            throw new Error('Cannot interpolate from scalar color to color mapping');
+        }
+
+        const ret = { ...baseColors as any, ...startColor as any };
+        if (typeof endColor === 'object') {
+            for (const key of Object.keys(endColor)) {
+                ret[key] = Color.toHexStyle(Color.interpolate(startColor[key], endColor[key], t));
+            }
+        } else if (typeof endColor === 'number') {
+            for (const key of Object.keys(startColor)) {
+                ret[key] = Color.toHexStyle(Color.interpolate(startColor[key], endColor, t));
+            }
+        }
+        return ret;
+    }
+    if (typeof endColor === 'object') {
+        throw new Error('Cannot interpolate from scalar color to color mapping');
+    }
+
+    if (typeof endColor === 'number' && typeof startColor === 'number') {
+        return Color.toHexStyle(Color.interpolate(startColor, endColor, t));
+    }
+
+    return start;
+}
+
 function select(params: any, path: string | (string | number)[], offset: number) {
     if (typeof path === 'string') {
         return params?.[path];
@@ -493,12 +564,10 @@ function makeNodeMap(tree: Tree, map: Map<string, (string | number)[]>, currentP
     return map;
 }
 
-function makePaletteFunction(props: MVSAnimationNode<'interpolate'>, start: ColorT | undefined | null, end: ColorT | undefined | null): ((value: number) => Color) | undefined {
-    if (props.params.kind !== 'color') return undefined;
+function makePaletteFunction(props: MVSAnimationNode<'interpolate'>): ((value: number) => Color) | undefined {
+    if (props.params.kind !== 'color' || !props.params.palette) return undefined;
 
-    const params = props.params.palette
-        ? palettePropsFromMVSPalette(props.params.palette)
-        : palettePropsFromMVSPalette({ kind: 'continuous', colors: [start ?? 'black', end ?? start ?? 'black'] });
+    const params = palettePropsFromMVSPalette(props.params.palette);
     if (params.name === 'discrete') return makePaletteFunctionDiscrete(params.params);
     if (params.name === 'continuous') return makePaletteFunctionContinuous(params.params);
     throw new Error(`NotImplementedError: makePaletteFunction for ${(props as any).name}`);

src/extensions/mvs/load.ts

@@ -33,8 +33,8 @@ import { NonCovalentInteractionsExtension } from './load-extensions/non-covalent
 import { LoadingActions, LoadingExtension, loadTreeVirtual, UpdateTarget } from './load-generic';
 import { AnnotationFromSourceKind, AnnotationFromUriKind, collectAnnotationReferences, collectAnnotationTooltips, collectInlineLabels, collectInlineTooltips, colorThemeForNode, componentFromXProps, componentPropsFromSelector, isPhantomComponent, labelFromXProps, makeNearestReprMap, prettyNameFromSelector, representationProps, structureProps, transformAndInstantiateStructure, transformAndInstantiateVolume, volumeColorThemeForNode, volumeRepresentationProps } from './load-helpers';
 import { MVSData, MVSData_States, Snapshot, SnapshotMetadata } from './mvs-data';
-import { MVSAnimationNode } from './tree/animation/animation-tree';
-import { validateTree } from './tree/generic/tree-schema';
+import { MVSAnimationNode, MVSAnimationSchema } from './tree/animation/animation-tree';
+import { validateTree } from './tree/generic/tree-validation';
 import { convertMvsToMolstar, mvsSanityCheck } from './tree/molstar/conversion';
 import { MolstarNode, MolstarNodeParams, MolstarSubtree, MolstarTree, MolstarTreeSchema } from './tree/molstar/molstar-tree';
 import { MVSTreeSchema } from './tree/mvs/mvs-tree';
@@ -51,6 +51,7 @@ export interface MVSLoadOptions {
     sanityChecks?: boolean,
     /** Base for resolving relative URLs/URIs. May itself be a relative URL (relative to the window URL). */
     sourceUrl?: string,
+
     doNotReportErrors?: boolean
 }
 
@@ -78,10 +79,13 @@ async function _loadMVS(ctx: RuntimeContext, plugin: PluginContext, data: MVSDat
         for (let i = 0; i < multiData.snapshots.length; i++) {
             const snapshot = multiData.snapshots[i];
             const previousSnapshot = i > 0 ? multiData.snapshots[i - 1] : multiData.snapshots[multiData.snapshots.length - 1];
-            validateTree(MVSTreeSchema, snapshot.root, 'MVS');
+            validateTree(MVSTreeSchema, snapshot.root, 'MVS', plugin);
+            if (snapshot.animation) {
+                validateTree(MVSAnimationSchema, snapshot.animation, 'Animation', plugin);
+            }
             if (options.sanityChecks) mvsSanityCheck(snapshot.root);
             const molstarTree = convertMvsToMolstar(snapshot.root, options.sourceUrl);
-            validateTree(MolstarTreeSchema, molstarTree, 'Converted Molstar');
+            validateTree(MolstarTreeSchema, molstarTree, 'Converted Molstar', plugin);
             const entry = molstarTreeToEntry(
                 plugin,
                 molstarTree,

src/extensions/mvs/mvs-data.ts

@@ -5,7 +5,7 @@
  * @author David Sehnal <david.sehnal@gmail.com>
  */
 
-import { treeValidationIssues } from './tree/generic/tree-schema';
+import { treeValidationIssues } from './tree/generic/tree-validation';
 import { treeToString } from './tree/generic/tree-utils';
 import { MVSAnimationSchema, MVSAnimationTree } from './tree/animation/animation-tree';
 import { Root, createMVSBuilder } from './tree/mvs/mvs-builder';

src/extensions/mvs/tree/animation/animation-tree.ts

@@ -4,7 +4,7 @@
  * @author David Sehnal <david.sehnal@gmail.com>
  */
 
-import { bool, float, int, list, OptionalField, RequiredField, str, union, nullable, literal, ValueFor } from '../generic/field-schema';
+import { bool, float, int, list, OptionalField, RequiredField, str, union, nullable, literal, ValueFor, dict } from '../generic/field-schema';
 import { SimpleParamsSchema, UnionParamsSchema } from '../generic/params-schema';
 import { NodeFor, ParamsOfKind, SubtreeOfKind, TreeFor, TreeSchema } from '../generic/tree-schema';
 import { ColorT, ContinuousPalette, DiscretePalette, Matrix, Vector3 } from '../mvs/param-types';
@@ -75,8 +75,8 @@ const ColorInterpolation = {
     ..._Common,
     ..._Frequency,
     ..._Easing,
-    start: OptionalField(nullable(ColorT), null, 'Start value. If unset, parent state value is used.'),
-    end: OptionalField(nullable(ColorT), null, 'End value.'),
+    start: OptionalField(union(nullable(ColorT), dict(union(int, str), ColorT)), null, 'Start value. If unset, parent state value is used.'),
+    end: OptionalField(union(nullable(ColorT), dict(union(int, str), ColorT)), null, 'End value.'),
     palette: OptionalField(nullable(union(DiscretePalette, ContinuousPalette)), null, 'Palette to sample colors from. Overrides start and end values.'),
 };
 

src/extensions/mvs/tree/generic/tree-schema.ts

@@ -4,12 +4,8 @@
  * @author Adam Midlik <midlik@gmail.com>
  */
 
-import { onelinerJsonString } from '../../../../mol-util/json';
-import { isPlainObject, mapObjectMap } from '../../../../mol-util/object';
-import { Field } from './field-schema';
-import { AllRequired, ParamsSchema, SimpleParamsSchema, ValuesFor, paramsValidationIssues } from './params-schema';
-import { treeToString } from './tree-utils';
-
+import { mapObjectMap } from '../../../../mol-util/object';
+import { AllRequired, ParamsSchema, ValuesFor } from './params-schema';
 
 /** Type of "custom" of a tree node (key-value storage with arbitrary JSONable values) */
 export type CustomProps = Partial<Record<string, any>>
@@ -114,120 +110,3 @@ export type NodeFor<TTreeSchema extends TreeSchema, TKind extends keyof ParamsSc
 
 /** Type of tree which conforms to tree schema `TTreeSchema` */
 export type TreeFor<TTreeSchema extends TreeSchema> = Tree<NodeFor<TTreeSchema>, RootFor<TTreeSchema> & NodeFor<TTreeSchema>>
-
-
-/** Return `undefined` if a tree conforms to the given schema,
- * return validation issues (as a list of lines) if it does not conform.
- * If `options.requireAll`, all parameters (including optional) must have a value provided.
- * If `options.noExtra` is true, presence of any extra parameters is treated as an issue.
- * If `options.anyRoot` is true, the kind of the root node is not enforced.
- */
-export function treeValidationIssues(schema: TreeSchema, tree: Tree, options: { requireAll?: boolean, noExtra?: boolean, anyRoot?: boolean, parent?: string } = {}): string[] | undefined {
-    if (!isPlainObject(tree)) return [`Node must be an object, not ${tree}`];
-    if (!options.anyRoot && tree.kind !== schema.rootKind) return [`Invalid root node kind "${tree.kind}", root must be of kind "${schema.rootKind}"`];
-    const nodeSchema = schema.nodes[tree.kind];
-    if (!nodeSchema) return [`Unknown node kind "${tree.kind}"`];
-    if (nodeSchema.parent && (options.parent !== undefined) && !nodeSchema.parent.includes(options.parent)) {
-        return [`Node of kind "${tree.kind}" cannot appear as a child of "${options.parent}". Allowed parents for "${tree.kind}" are: ${nodeSchema.parent.map(s => `"${s}"`).join(', ')}`];
-    }
-    const issues = paramsValidationIssues(nodeSchema.params, getParams(tree), options);
-    if (issues) return [`Invalid parameters for node of kind "${tree.kind}":`, ...issues.map(s => '  ' + s)];
-    if (tree.custom !== undefined && (typeof tree.custom !== 'object' || tree.custom === null)) {
-        return [`Invalid "custom" for node of kind "${tree.kind}": must be an object, not ${tree.custom}.`];
-    }
-    for (const child of getChildren(tree)) {
-        const issues = treeValidationIssues(schema, child, { ...options, anyRoot: true, parent: tree.kind });
-        if (issues) return issues;
-    }
-    return undefined;
-}
-
-/** Validate a tree against the given schema.
- * Do nothing if OK; print validation issues on console and throw an error is the tree does not conform.
- * Include `label` in the printed output. */
-export function validateTree(schema: TreeSchema, tree: Tree, label: string): void {
-    const issues = treeValidationIssues(schema, tree, { noExtra: true });
-    if (issues) {
-        console.warn(`Invalid ${label} tree:\n${treeToString(tree)}`);
-        console.error(`${label} tree validation issues:`);
-        for (const line of issues) {
-            console.error(' ', line);
-        }
-        throw new Error('FormatError');
-    }
-}
-
-/** Return documentation for a tree schema as plain text */
-export function treeSchemaToString<S extends TreeSchema>(schema: S): string {
-    return treeSchemaToString_(schema, false);
-}
-/** Return documentation for a tree schema as markdown text */
-export function treeSchemaToMarkdown<S extends TreeSchema>(schema: S): string {
-    return treeSchemaToString_(schema, true);
-}
-function treeSchemaToString_<S extends TreeSchema>(schema: S, markdown: boolean = false): string {
-    const out: string[] = [];
-    const bold = (str: string) => markdown ? `**${str}**` : str;
-    const code = (str: string) => markdown ? `\`${str}\`` : str;
-    const h1 = markdown ? '## ' : '  - ';
-    const p1 = markdown ? '' : '    ';
-    const h2 = markdown ? '- ' : '      - ';
-    const p2 = markdown ? '  ' : '        ';
-    const h3 = markdown ? '  - ' : '          - ';
-    const p3 = markdown ? '    ' : '            ';
-    const newline = markdown ? '\n\n' : '\n';
-    out.push(`Tree schema:`);
-    for (const kind in schema.nodes) {
-        const { description, params, parent } = schema.nodes[kind];
-        out.push(`${h1}${code(kind)}`);
-        if (kind === schema.rootKind) {
-            out.push(`${p1}[Root of the tree must be of this kind]`);
-        }
-        if (description) {
-            out.push(`${p1}${description}`);
-        }
-        out.push(`${p1}Parent: ${!parent ? 'any' : parent.length === 0 ? 'none' : parent.map(code).join(' or ')}`);
-        out.push(`${p1}Params:${Object.keys(params).length > 0 ? '' : ' none'}`);
-        if (params.type === 'simple') {
-            formatSimpleParams(out, params, { h: h2, p: p2, code, bold });
-        } else {
-            const key = params.discriminator;
-            const casesStr = Object.keys(params.cases).join(' | ');
-            out.push(`${h2}${bold(code(key + ': '))}${code(casesStr)}`);
-            if (params.discriminatorDescription) {
-                out.push(`${p2}${params.discriminatorDescription}`);
-            }
-            out.push(`${p2}[This parameter determines the rest of parameters]`);
-            for (const case_ in params.cases) {
-                const caseStr = `${params.discriminator}: "${case_}"`;
-                out.push(`${p2}${bold(`Case ${code(caseStr)}:`)}`);
-                formatSimpleParams(out, params.cases[case_], { h: h3, p: p3, code, bold });
-            }
-        }
-    }
-    return out.join(newline);
-}
-
-function formatSimpleParams(out: string[], params: SimpleParamsSchema, formatting: { h: string, p: string, code: (str: string) => string, bold: (str: string) => string }): void {
-    const { h, p, code, bold } = formatting;
-    for (const key in params.fields) {
-        const field = params.fields[key];
-        out.push(`${h}${bold(code(key + (field.required ? ': ' : '?: ')))}${code(formatFieldType(field))}`);
-        const defaultValue = field.required ? undefined : field.default;
-        if (field.description) {
-            out.push(`${p}${field.description}`);
-        }
-        if (defaultValue !== undefined) {
-            out.push(`${p}Default: ${code(onelinerJsonString(defaultValue))}`);
-        }
-    }
-}
-
-function formatFieldType(field: Field): string {
-    const typeString = field.type.name;
-    if (typeString.startsWith('(') && typeString.endsWith(')')) {
-        return typeString.slice(1, -1);
-    } else {
-        return typeString;
-    }
-}

src/extensions/mvs/tree/generic/tree-validation.ts

@@ -0,0 +1,125 @@
+import { PluginContext } from '../../../../mol-plugin/context';
+import { onelinerJsonString } from '../../../../mol-util/json';
+import { isPlainObject } from '../../../../mol-util/object';
+import { Field } from './field-schema';
+import { SimpleParamsSchema, paramsValidationIssues } from './params-schema';
+import { getChildren, getParams, Tree, TreeSchema } from './tree-schema';
+import { treeToString } from './tree-utils';
+
+/** Return `undefined` if a tree conforms to the given schema,
+ * return validation issues (as a list of lines) if it does not conform.
+ * If `options.requireAll`, all parameters (including optional) must have a value provided.
+ * If `options.noExtra` is true, presence of any extra parameters is treated as an issue.
+ * If `options.anyRoot` is true, the kind of the root node is not enforced.
+ */
+export function treeValidationIssues(schema: TreeSchema, tree: Tree, options: { requireAll?: boolean, noExtra?: boolean, anyRoot?: boolean, parent?: string } = {}): string[] | undefined {
+    if (!isPlainObject(tree)) return [`Node must be an object, not ${tree}`];
+    if (!options.anyRoot && tree.kind !== schema.rootKind) return [`Invalid root node kind "${tree.kind}", root must be of kind "${schema.rootKind}"`];
+    const nodeSchema = schema.nodes[tree.kind];
+    if (!nodeSchema) return [`Unknown node kind "${tree.kind}"`];
+    if (nodeSchema.parent && (options.parent !== undefined) && !nodeSchema.parent.includes(options.parent)) {
+        return [`Node of kind "${tree.kind}" cannot appear as a child of "${options.parent}". Allowed parents for "${tree.kind}" are: ${nodeSchema.parent.map(s => `"${s}"`).join(', ')}`];
+    }
+    const issues = paramsValidationIssues(nodeSchema.params, getParams(tree), options);
+    if (issues) return [`Invalid parameters for node of kind "${tree.kind}":`, ...issues.map(s => '  ' + s)];
+    if (tree.custom !== undefined && (typeof tree.custom !== 'object' || tree.custom === null)) {
+        return [`Invalid "custom" for node of kind "${tree.kind}": must be an object, not ${tree.custom}.`];
+    }
+    for (const child of getChildren(tree)) {
+        const issues = treeValidationIssues(schema, child, { ...options, anyRoot: true, parent: tree.kind });
+        if (issues) return issues;
+    }
+    return undefined;
+}
+
+/** Validate a tree against the given schema.
+ * Do nothing if OK; print validation issues on console and throw an error is the tree does not conform.
+ * Include `label` in the printed output. */
+export function validateTree(schema: TreeSchema, tree: Tree, label: string, plugin: PluginContext): void {
+    const issues = treeValidationIssues(schema, tree, { noExtra: true });
+    if (issues) {
+        console.warn(`Invalid ${label} tree:\n${treeToString(tree)}`);
+        console.error(`${label} tree validation issues:`);
+        plugin.log.error(`${label} tree validation issues:`);
+        for (const line of issues) {
+            console.error(' ', line);
+            plugin.log.error(line);
+        }
+        throw new Error('FormatError');
+    }
+}
+
+/** Return documentation for a tree schema as plain text */
+export function treeSchemaToString<S extends TreeSchema>(schema: S): string {
+    return treeSchemaToString_(schema, false);
+}
+/** Return documentation for a tree schema as markdown text */
+export function treeSchemaToMarkdown<S extends TreeSchema>(schema: S): string {
+    return treeSchemaToString_(schema, true);
+}
+function treeSchemaToString_<S extends TreeSchema>(schema: S, markdown: boolean = false): string {
+    const out: string[] = [];
+    const bold = (str: string) => markdown ? `**${str}**` : str;
+    const code = (str: string) => markdown ? `\`${str}\`` : str;
+    const h1 = markdown ? '## ' : '  - ';
+    const p1 = markdown ? '' : '    ';
+    const h2 = markdown ? '- ' : '      - ';
+    const p2 = markdown ? '  ' : '        ';
+    const h3 = markdown ? '  - ' : '          - ';
+    const p3 = markdown ? '    ' : '            ';
+    const newline = markdown ? '\n\n' : '\n';
+    out.push(`Tree schema:`);
+    for (const kind in schema.nodes) {
+        const { description, params, parent } = schema.nodes[kind];
+        out.push(`${h1}${code(kind)}`);
+        if (kind === schema.rootKind) {
+            out.push(`${p1}[Root of the tree must be of this kind]`);
+        }
+        if (description) {
+            out.push(`${p1}${description}`);
+        }
+        out.push(`${p1}Parent: ${!parent ? 'any' : parent.length === 0 ? 'none' : parent.map(code).join(' or ')}`);
+        out.push(`${p1}Params:${Object.keys(params).length > 0 ? '' : ' none'}`);
+        if (params.type === 'simple') {
+            formatSimpleParams(out, params, { h: h2, p: p2, code, bold });
+        } else {
+            const key = params.discriminator;
+            const casesStr = Object.keys(params.cases).join(' | ');
+            out.push(`${h2}${bold(code(key + ': '))}${code(casesStr)}`);
+            if (params.discriminatorDescription) {
+                out.push(`${p2}${params.discriminatorDescription}`);
+            }
+            out.push(`${p2}[This parameter determines the rest of parameters]`);
+            for (const case_ in params.cases) {
+                const caseStr = `${params.discriminator}: "${case_}"`;
+                out.push(`${p2}${bold(`Case ${code(caseStr)}:`)}`);
+                formatSimpleParams(out, params.cases[case_], { h: h3, p: p3, code, bold });
+            }
+        }
+    }
+    return out.join(newline);
+}
+
+function formatSimpleParams(out: string[], params: SimpleParamsSchema, formatting: { h: string, p: string, code: (str: string) => string, bold: (str: string) => string }): void {
+    const { h, p, code, bold } = formatting;
+    for (const key in params.fields) {
+        const field = params.fields[key];
+        out.push(`${h}${bold(code(key + (field.required ? ': ' : '?: ')))}${code(formatFieldType(field))}`);
+        const defaultValue = field.required ? undefined : field.default;
+        if (field.description) {
+            out.push(`${p}${field.description}`);
+        }
+        if (defaultValue !== undefined) {
+            out.push(`${p}Default: ${code(onelinerJsonString(defaultValue))}`);
+        }
+    }
+}
+
+function formatFieldType(field: Field): string {
+    const typeString = field.type.name;
+    if (typeString.startsWith('(') && typeString.endsWith(')')) {
+        return typeString.slice(1, -1);
+    } else {
+        return typeString;
+    }
+}

src/extensions/mvs/tree/mvs/mvs-tree-primitives.ts

@@ -53,7 +53,7 @@ const LinesParams = {
     vertices: RequiredField(FloatList, '3*n_vertices length array of floats with vertex position (x1, y1, z1, ...).'),
     /** 2*n_lines length array of indices into vertices that form lines (l1_1, l1_2, ...). */
     indices: RequiredField(IntList, '2*n_lines length array of indices into vertices that form lines (l1_1, l1_2, ...).'),
-    /** Assign a number to each triangle to group them. If not specified, each line is considered a separate group (line i = group i). */
+    /** Assign a number to each line to group them. If not specified, each line is considered a separate group (line i = group i). */
     line_groups: OptionalField(nullable(IntList), null, 'Assign a number to each triangle to group them. If not specified, each line is considered a separate group (line i = group i).'),
     /** Assign a color to each group. Where not assigned, uses `color`. */
     group_colors: OptionalField(dict(int, ColorT), {}, 'Assign a color to each group. Where not assigned, uses `color`.'),

src/mol-canvas3d/passes/background.ts

@@ -445,8 +445,9 @@ function areImageTexturePropsEqual(sourceA: ImageProps['source'], sourceB: Image
 
 function getImageTexture(ctx: WebGLContext, assetManager: AssetManager, source: ImageProps['source'], onload?: (errored?: boolean) => void): { texture: Texture, asset: Asset } {
     const asset = source.name === 'url'
-        ? Asset.getUrlAsset(assetManager, source.params)
+        ? assetManager.tryFindFilename(source.params) ?? Asset.getUrlAsset(assetManager, source.params)
         : source.params!;
+
     if (typeof HTMLImageElement === 'undefined') {
         console.error(`Missing "HTMLImageElement" required for background image`);
         onload?.(true);

src/mol-gl/renderer.ts

@@ -483,13 +483,13 @@ namespace Renderer {
             const alpha = clamp(r.values.alpha.ref.value * r.state.alphaFactor, 0, 1);
             const xrayShaded = r.values.dXrayShaded?.ref.value === 'on' || r.values.dXrayShaded?.ref.value === 'inverted';
             return (
-                (alpha < 1 && alpha !== 0) ||
+                alpha !== 0 && (alpha < 1 ||
                 r.values.transparencyAverage.ref.value > 0 ||
                 r.values.dGeometryType.ref.value === 'directVolume' ||
                 r.values.dPointStyle?.ref.value === 'fuzzy' ||
                 r.values.dGeometryType.ref.value === 'text' ||
                 r.values.dGeometryType.ref.value === 'image' ||
-                xrayShaded
+                xrayShaded)
             );
         };
 

src/mol-gl/shader/outlines.frag.ts

@@ -38,11 +38,11 @@ float getDepthOpaque(const in vec2 coords) {
     #endif
 }
 
-float getDepthTransparent(const in vec2 coords) {
+vec2 getDepthTransparentWithAlpha(const in vec2 coords) {
     #ifdef dTransparentOutline
-        return unpackRGBAToDepthWithAlpha(texture2D(tDepthTransparent, coords)).x;
+        return unpackRGBAToDepthWithAlpha(texture2D(tDepthTransparent, coords));
     #else
-        return 1.0;
+        return vec2(1.0, 1.0);
     #endif
 }
 
@@ -66,7 +66,7 @@ void main(void) {
     float selfViewZOpaque = isBackground(selfDepthOpaque) ? backgroundViewZ : getViewZ(selfDepthOpaque);
     float pixelSizeOpaque = getPixelSize(coords, selfDepthOpaque) * uOutlineThreshold;
 
-    float selfDepthTransparent = getDepthTransparent(coords);
+    float selfDepthTransparent = getDepthTransparentWithAlpha(coords).x;
     float selfViewZTransparent = isBackground(selfDepthTransparent) ? backgroundViewZ : getViewZ(selfDepthTransparent);
     float pixelSizeTransparent = getPixelSize(coords, selfDepthTransparent) * uOutlineThreshold;
 
@@ -79,12 +79,15 @@ void main(void) {
             vec2 sampleCoords = coords + vec2(float(x), float(y)) * invTexSize;
 
             float sampleDepthOpaque = getDepthOpaque(sampleCoords);
-            float sampleDepthTransparent = getDepthTransparent(sampleCoords);
+            vec2 sampleDepthTransparentWithAlpha = getDepthTransparentWithAlpha(sampleCoords);
+            float sampleDepthTransparent = sampleDepthTransparentWithAlpha.x;
+            float sampleAlphaTransparent = sampleDepthTransparentWithAlpha.y;
 
             float sampleViewZOpaque = isBackground(sampleDepthOpaque) ? backgroundViewZ : getViewZ(sampleDepthOpaque);
             if (abs(selfViewZOpaque - sampleViewZOpaque) > pixelSizeOpaque && selfDepthOpaque > sampleDepthOpaque && sampleDepthOpaque <= bestDepth) {
                 outline = 0.0;
                 bestDepth = sampleDepthOpaque;
+                transparentFlag = 0.0;
             }
 
             if (sampleDepthTransparent < sampleDepthOpaque) {
@@ -92,7 +95,7 @@ void main(void) {
                 if (abs(selfViewZTransparent - sampleViewZTransparent) > pixelSizeTransparent && selfDepthTransparent > sampleDepthTransparent && sampleDepthTransparent <= bestDepth) {
                     outline = 0.0;
                     bestDepth = sampleDepthTransparent;
-                    transparentFlag = 1.0;
+                    transparentFlag = sampleAlphaTransparent;
                 }
             }
         }

src/mol-gl/shader/postprocessing.frag.ts

@@ -168,15 +168,25 @@ void main(void) {
         if (outline == 0.0) {
             float viewDist = abs(getViewZ(closestTexel));
             float fogFactor = smoothstep(uFogNear, uFogFar, viewDist);
-            if (!uTransparentBackground) {
-                    color.rgb = mix(uOutlineColor, uFogColor, fogFactor);
-            } else {
-                color.a = 1.0 - fogFactor;
-                color.rgb = mix(uOutlineColor, vec3(0.0), fogFactor);
-            }
             #ifdef dBlendTransparency
-                if (isTransparentOutline == 1.0 || transparentDepth > closestTexel) {
-                    blendTransparency = false;
+                if (isTransparentOutline > 0.0) {
+                    float outlineAlpha = clamp(isTransparentOutline * 2.0, 0.0, 1.0);        
+                    transparentColor.a = transparentColor.a + outlineAlpha * (1.0 - fogFactor) * (1.0 - transparentColor.a); 
+                    transparentColor.rgb = uOutlineColor;
+                } else {
+                    if (!uTransparentBackground) {
+                        color.rgb = mix(uOutlineColor, uFogColor, fogFactor);
+                    } else {
+                        color.a = 1.0 - fogFactor;
+                        color.rgb = mix(uOutlineColor, vec3(0.0), fogFactor);
+                    }
+                }
+            #else
+                if (!uTransparentBackground) {
+                    color.rgb = mix(uOutlineColor, uFogColor, fogFactor);
+                } else {
+                    color.a = 1.0 - fogFactor;
+                    color.rgb = mix(uOutlineColor, vec3(0.0), fogFactor);
                 }
             #endif
         }

src/mol-plugin-state/animation/built-in/state-snapshots.ts

@@ -13,9 +13,11 @@ async function setPartialSnapshot(plugin: PluginContext, entry: Partial<PluginSt
     if (entry.data) {
         await plugin.runTask(plugin.state.data.setSnapshot(entry.data));
         // update the canvas3d trackball with the snapshot
-        plugin.canvas3d?.setProps({
-            trackball: entry.canvas3d?.props?.trackball
-        });
+        if (entry.canvas3d?.props?.trackball) {
+            plugin.canvas3d?.setProps({
+                trackball: entry.canvas3d?.props?.trackball
+            });
+        }
 
     }
 

src/mol-util/assets.ts

@@ -83,6 +83,15 @@ class AssetManager {
         }
     }
 
+    tryFindFilename(name: string): Asset | undefined {
+        const it = this._assets.values();
+        while (true) {
+            const { done, value } = it.next();
+            if (done) break;
+            if (value.file.name === name) return value.asset;
+        }
+    }
+
     set(asset: Asset, file: File, options?: { isStatic?: boolean, tag?: string }) {
         this._assets.set(asset.id, { asset, file, refCount: 0, tag: options?.tag, isStatic: options?.isStatic });
     }

src/mol-util/error-context.ts

@@ -5,13 +5,13 @@
  */
 
 export class ErrorContext {
-    private errors: { [tag: string]: any[] } = Object.create(null);
+    private errors: { [tag: string]: string[] } = Object.create(null);
 
-    get(tag: string): ReadonlyArray<any> {
+    get(tag: string): ReadonlyArray<string> {
         return this.errors[tag] ?? [];
     }
 
-    add(tag: string, error: any) {
+    add(tag: string, error: string) {
         if (tag in this.errors && Array.isArray(this.errors[tag])) {
             this.errors[tag].push(error);
         } else {