pub_soft/pymol-open-source
3
0
Fork 0
mirror of https://github.com/schrodinger/pymol-open-source.git synced 2026-06-04 20:04:21 +08:00
Code Issues Packages Projects Releases Wiki Activity

Commit Graph

  • 46530027e6 Fix cell color for ray/png master ray_cell_color Jarrett Johnson 2026-05-04 10:58:05 -04:00
  • f1fa2ed417 Empty chain selections should be quoted Jarrett Johnson 2026-03-25 02:18:17 -04:00
  • f6d82762c7 Bump actions/checkout and actions/setup-python to v6 Jarrett Johnson 2026-03-25 01:38:08 -04:00
  • a7dfd4df79 Remove monkeypatch distutils Jarrett Johnson 2026-03-25 01:19:28 -04:00
  • 737665b749 Use pixi in workflow pixi_wf Jarrett Johnson 2026-03-25 00:15:41 -04:00
  • fafebb56d3 Improve peptide nucleic acid visualization Jarrett Johnson 2026-03-09 12:20:28 -04:00
  • 5456a6768b PYMOL-5436: Add new command 'protonate' for chemically-aware protonation Jarrett Johnson 2026-03-09 11:42:02 -04:00
  • 173f174c04 PYMOL-5439: Support cyclic peptide visualization in cartoons Jarrett Johnson 2026-03-09 12:14:40 -04:00
  • 3a56aaebe5 Refactor list_scan to handle new pymol-scripts-repo layout (#499) jrom99 2026-03-01 12:05:07 -03:00
  • 4769e62c02 PYMOL-5418: Add USAlign implementation for structural alignment Jarrett Johnson 2026-02-23 11:07:34 -05:00
  • 841c094393 Adjust test for autoerr missing key Jarrett Johnson 2026-02-24 01:55:05 -05:00
  • 777e1d2ba3 Dedent exception in autoerr Jarrett Johnson 2026-02-24 01:51:08 -05:00
  • 87d27daafb port over qt6 migrations Jarrett Johnson 2026-02-24 01:05:23 -05:00
  • d30a289129 Fix dropped residues with cif_use_auth and inscodes Jarrett Johnson 2026-02-21 01:16:36 -05:00
  • 7155503465 set_property CoordSet fallback set_property_fallback Jarrett Johnson 2026-02-20 18:55:57 -05:00
  • ede1553a9c PYMOL-5422: Fix matrix_copy pointer alias Jarrett Johnson 2026-02-20 18:06:28 -05:00
  • bc0943cb7d Improve validation coefficient import Jarrett Johnson 2026-02-20 17:04:57 -05:00
  • e0378ecd6d Remove properties #ifdefs Jarrett Johnson 2026-02-13 10:43:40 -05:00
  • 92eeb4867f Port properties feature from incentive Jarrett Johnson 2026-02-12 16:45:20 -05:00
  • 227031aa95 Export BCIF data column with consistent case Jarrett Johnson 2026-02-19 14:29:17 -05:00
  • 4a2da35286 Support multiobject bcif exporting Jarrett Johnson 2026-02-19 13:14:05 -05:00
  • 4a57dc46c4 cpp20 cpp20 Jarrett Johnson 2026-02-12 22:25:33 -05:00
  • 852ad0af30 move libs inclusion to later ubuntu24 Jarrett Johnson 2025-04-05 14:36:45 -04:00
  • 7f8e443c9a add Catch2 and Catch2Main Jarrett Johnson 2025-04-05 14:17:18 -04:00
  • 03e0ebced3 try catch Jarrett Johnson 2025-04-05 14:05:50 -04:00
  • 1df4d10a3b ubuntu 24.04 Jarrett Johnson 2025-04-05 14:00:12 -04:00
  • 8947d3bc06 fix: update launch script handling for mingw-w64/msys2 on Windows (#487) wszqkzqk 2026-02-13 10:12:49 +08:00
  • 9eb37e002c PYMOL-5409: Fix partial esp maps covering entire surface (#373) Jarrett Johnson 2026-02-10 14:58:05 -05:00
  • 7d7eed2b73 clang-format gadget module Jarrett Johnson 2026-02-10 15:11:56 -05:00
  • 4edf9aab84 PYMOL-4915 PYMOL-4964 PYMOL-4752: Fix Gizmo rendering with TMode3 Jarrett Johnson 2026-02-06 16:08:24 -05:00
  • 462dd320b8 Use exec over exec_ for font context menu Jarrett Johnson 2026-02-02 10:03:50 -05:00
  • bc2ea7ca0c Copy attributes for QFrame.Sunken/Panel Jarrett Johnson 2026-02-02 10:02:33 -05:00
  • 9c48a9917d Fix compiling with use-msgpackc=no (#488) Thomas Holder 2025-12-24 17:22:50 +01:00
  • 58cfe7b422 build: support to build pymol with mingw-w64 on Windows (#486) wszqkzqk 2025-12-08 22:35:24 +08:00
  • 0a53de09b0 Add support for >=, <=, == operators in selections Pedro Sousa Lacerda 2025-12-06 18:07:59 -03:00
  • 796d84edec Small refactor to accommodate support for >=, <= and == operators in selections Pedro Sousa Lacerda 2025-12-06 09:46:17 -03:00
  • 9c92399973 Add new_command and improved type inference (#470) pslacerda1 2025-11-28 14:42:41 -03:00
  • 7b40e3e5fe PYMOL-5361: export BCIF implementation Jarrett Johnson 2025-11-25 14:56:27 -05:00
  • 1f70aa4552 PYMOL-5361: export BCIF implementation bcif_export Jarrett Johnson 2025-11-25 14:07:45 -05:00
  • 63e312ae08 Fix PytestUnraisableExceptionWarning Thomas Holder 2025-05-31 20:54:24 +02:00
  • 9375fd24c0 get_object_list('') -> [] Thomas Holder 2025-11-11 00:41:43 +01:00
  • c8e2a1b724 Error propagation for cmd.get_object_list() Thomas Holder 2023-07-06 22:11:49 +02:00
  • a71b21233e Port fix: selection regression on macOS Jarrett Johnson 2025-10-29 14:47:01 -04:00
  • 5b3317e3d0 Fix undeclared identifier 'float_text' error in RepLabel.cpp (#475) galeo 2025-10-24 23:36:02 +08:00
  • ee4c1cae23 Add Python 3.14 to CI py314 Jarrett Johnson 2025-10-10 18:32:03 -04:00
  • 58484245b6 add <cstdint> header to GPUVertDesc Jarrett Johnson 2025-10-10 11:42:17 -04:00
  • 984bc6ba4d fix compilation errors Jarrett Johnson 2025-09-26 14:41:59 -04:00
  • 6977216eb1 PYMOL-5169: Move VertexBufferGL to generalized VertexBuffer (etc) Jarrett Johnson 2025-04-03 08:28:26 -04:00
  • 57daee0b7e Refactor Result to include less across source files Jarrett Johnson 2025-08-07 23:37:21 -04:00
  • dc70a2f303 PYMOL-5234: Fix draw while using antialiasing_shader Jarrett Johnson 2025-06-04 16:21:47 -04:00
  • 4e2fcbc8fc PYMOL-5216: grid_slot setting should immediately reassign Jarrett Johnson 2025-05-20 12:51:16 -04:00
  • c579637687 PYMOL-5211: Fix carve texture unpack alignments Jarrett Johnson 2025-09-13 19:37:26 -04:00
  • ec17f65a7f PYMOL-5161: Update screen after bg color change Jarrett Johnson 2025-03-19 13:46:27 -04:00
  • ffa26aab3e PYMOL-5122: Don't render null mesh cgo Jarrett Johnson 2025-03-11 19:24:12 -04:00
  • cc6ae216ec clang-format Executive module Jarrett Johnson 2025-09-13 19:30:40 -04:00
  • 567357fb19 PYMOL-5102: Refactor Object Slice rendering logic Jarrett Johnson 2025-05-19 22:51:41 -04:00
  • 1df96fb364 clang-format ObjectSlice module Jarrett Johnson 2025-09-13 19:29:46 -04:00
  • d5a62ca45f clang-format Editor module Jarrett Johnson 2025-09-13 19:29:02 -04:00
  • 5a67f3816d clang-format ObjectVolume module Jarrett Johnson 2025-09-13 19:25:20 -04:00
  • 9b4b57f633 clang-format ObjectCGO module Jarrett Johnson 2025-04-22 00:17:01 -04:00
  • 8761f41dc7 PYMOL-5195 (Part Two/Three): Separate logic for RepLabel raster/immediate Jarrett Johnson 2025-04-17 13:29:55 -04:00
  • 04efef7abf PYMOL-5195: Refactor to used typed vertex memory layout for RepLabel Jarrett Johnson 2025-04-16 14:16:48 -04:00
  • ef2c05fc35 Remove unnecessary defines Jarrett Johnson 2025-01-30 10:31:50 -05:00
  • 3d97ab364c Remove unused variable Jarrett Johnson 2025-01-28 21:35:11 -05:00
  • d017ebc39f RepSurface refactor (VLA2Vec and SurfaceType) Jarrett Johnson 2025-01-28 02:50:59 -05:00
  • 34793089d8 GPU Buffer renaming Jarrett Johnson 2025-01-18 19:19:04 -05:00
  • 7b10fa0e84 PYMOL-5089: MapType refactor Jarrett Johnson 2025-01-06 23:19:37 -05:00
  • 4e4b03c669 clang-format MapType module Jarrett Johnson 2025-01-04 02:21:53 -05:00
  • 8b17af434c PYMOL-4289: Fix MapNew crashes by removing bad verts from map Jarrett Johnson 2024-08-19 14:28:14 -04:00
  • d46baf8943 Removed unused Memory cache Jarrett Johnson 2024-07-18 12:26:00 -04:00
  • dd1b87e5ae PYMOL_4670: Updating links in help menu Thomas Stewart 2024-11-25 13:51:24 -05:00
  • 31a2757121 Switch to conda-forge's libxml2-dev Jarrett Johnson 2025-09-26 11:22:13 -04:00
  • e6d9eb9c4b Port over Qt6 changes for APBS dialog Jarrett Johnson 2025-09-26 10:57:23 -04:00
  • a550aa709f Defer sort and reindexing when loading xyzstr (#467) Jarrett Johnson 2025-08-13 00:39:19 -04:00
  • 0f790531b4 Drop Python 3.9 from CI Jarrett Johnson 2025-08-07 23:28:10 -04:00
  • 6786f099c8 Migrate Pinch gestures to PyQt6 Jarrett Johnson 2025-08-07 22:01:28 -04:00
  • 7e6dafa700 Fixed build on FreeBSD (#461) Vedran Miletić 2025-06-17 16:09:14 +02:00
  • 7ef781c04a Fix declare_command on Windows (#459) Thomas Holder 2025-06-04 05:06:17 +02:00
  • d1359206e6 Eliminate two Biopython deprecation warnings (#458) Thomas Holder 2025-06-01 00:37:36 +02:00
  • 33c5c7c36a Support CIF structure factors to Density Map (#455) Jarrett Johnson 2025-05-13 01:10:54 -04:00
  • 448e1dcf15 Fix integer overflow in hash function. (#454) Augustin Žídek 2025-05-07 12:54:19 +01:00
  • dc081ee886 Check for glBindFramebuffer validity before calling Jarrett Johnson 2025-05-05 18:20:17 -04:00
  • 9698d6ccd2 Upgrade vtk-m dep to [2.0, 2.3] (#453) Jarrett Johnson 2025-05-05 01:54:00 -04:00
  • 8f957b847e Attempt to detect delocalized atoms (#439) Pedro Lacerda 2025-05-04 14:27:23 -03:00
  • f31e79fae8 Support cmd.iterate expression as a decorated function (#449) Pedro Lacerda 2025-05-04 13:38:36 -03:00
  • c208c62c21 Allow atom selection via VR controllers (#399) Leonardo Da Pozzo 2025-04-05 20:29:24 +02:00
  • 17c6cbd96d Fix ci pipeline for python3.9 and python3.13 (#435) ye11owSub 2025-04-05 20:47:18 +04:00
  • 8efe994820 Dont crash on GL error Jarrett Johnson 2025-04-04 11:27:40 -04:00
  • 27c28cb4b3 Wrap cmd.fuse in try/except. TODO: Context manager for selections Jarrett Johnson 2025-02-07 21:07:20 -05:00
  • a7086061a2 Address another invoked shortcut Jarrett Johnson 2025-02-07 20:24:48 -05:00
  • 98c85b865c Test if shortcut is callable Jarrett Johnson 2025-02-02 13:08:39 -05:00
  • 97cc179769 Bump numpy min to v2 (#429) Jarrett Johnson 2025-02-02 13:01:54 -05:00
  • 00de494f5e 3.2.0a0 version bump Jarrett Johnson 2025-02-02 12:28:59 -05:00
  • 71246845f7 removing the usage of has_key method of the Shortcut class (#426) ye11owSub 2025-01-28 13:17:25 +00:00
  • 78520103a9 Identify missed H-bonds (#374) norbert1000 2025-01-25 05:47:07 +01:00
  • 18175bcbc0 Allow to override build date with SOURCE_DATE_EPOCH (#404) Bernhard M. Wiedemann 2025-01-25 05:42:44 +01:00
  • 1f6e7b30ad Fix INSTALL instructions for newer versions of pip (#418) jrom99 2025-01-25 01:41:16 -03:00
  • 4f03162b41 Fix unknown wmclass in linux (missing dock icon) (#419) jrom99 2025-01-25 01:36:15 -03:00
  • fef4a02642 refactoring shortcut.py script (#391) ye11owSub 2025-01-25 04:34:53 +00:00
  • f51e58f6b0 3.1.0 v3.1.0 Jarrett Johnson 2025-01-24 23:19:27 -05:00