Anton Butsev
442d7ca981
View/color salt-bridge interactions differently from hydrogen bonds (PYMOL-3846)
2024-01-30 12:57:54 -05:00
Anton Butsev
465a28182e
halogen-bond detection and display (PYMOL-3466)
2024-01-30 12:53:41 -05:00
Jarrett Johnson
9e2ca7d92c
Move GetRawAlignment to ExecutivePython
2024-01-30 12:53:05 -05:00
Anton Butsev
ce1fb16bde
halogen-bond detection and display (PYMOL-3466)
2024-01-30 12:46:06 -05:00
Jarrett Johnson
9c82294fab
PYMOL-4014 Respect quiet argument for cif load
2024-01-30 12:06:24 -05:00
Jarrett Johnson
c3e298356a
Fix pep8 W605 warnings
2023-12-21 12:20:41 -05:00
Thomas Holder
125054d936
Fix SelectorTmp::getAtomCount() w/ selection name ( #323 )
...
Fixes https://github.com/schrodinger/pymol-open-source/issues/322
2023-12-20 10:41:54 -05:00
Thomas Holder
af77ece88c
Fix GIL for get_unused_name ( #324 )
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Fixes https://github.com/schrodinger/pymol-open-source/issues/320
2023-12-20 10:38:11 -05:00
Thomas Holder
d59041b68c
enum cAtomProtected_* ( #316 )
2023-09-25 12:18:38 -04:00
Thomas Holder
18d7e33c20
Fix mouse_selection_mode=3 (segments) ( #315 )
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PyMOL 2.4 regression
Fixes https://github.com/schrodinger/pymol-open-source/issues/313
2023-09-25 11:35:42 -04:00
Thomas Holder
a610ff1f38
Fix crash with grid_mode and no objects ( #306 )
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Regression of d0a3380636
2023-09-06 16:07:30 -04:00
Thomas Holder
5622d7616d
Fix volume editor for Python 3.10 ( #301 )
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Related to https://github.com/Pymol-Scripts/Pymol-script-repo/issues/136
2023-07-28 02:08:20 -04:00
Jarrett Johnson
26d795fe92
Remove PLY scaling factor
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Fixes #286
2023-07-20 12:13:23 -04:00
Jarrett Johnson
9333da43b2
Specify color ramp for volume state
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Fixes #289
2023-07-20 12:07:03 -04:00
Thomas Holder
b034d5c3e6
MMTF loader: Use entityList for HETATM flag ( #296 )
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Fixes https://github.com/schrodinger/pymol-open-source/issues/295
2023-07-18 11:51:18 -04:00
Thomas Holder
17be7d0f28
Fix CI pipeline ( #288 )
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* CI: Use ubuntu-22.04
* CI: Use system python
2023-05-19 16:09:56 -04:00
Thomas Holder
a3f3dd16c2
Fix GIL for get_object_ttt and friends ( #285 )
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The following functions were releasing the GIL and then calling Python
functions:
- CmdCombineObjectTTT
- CmdTransformObject
- CmdTransformSelection
- CmdGetObjectTTT
Fixed by either moving the Python calls outside the unblocked API
context, or by using a blocked API context.
2023-04-15 13:38:59 -04:00
Thomas Holder
d0a3380636
Avoid 3x2 grid for size=4 ( #276 )
2023-02-03 15:22:46 -05:00
Jarrett Johnson
7c931c893a
ensure GLEW_ERROR_NO_GLX_DISPLAY define is available before use.
2023-01-12 00:51:27 +09:00
bisdan
5d55f74723
Workaround shader disable encountered in combination with wayland ( #271 )
2023-01-10 23:55:12 +09:00
Thomas Holder
f70c533d01
bg_gradient=2 grid mode
2023-01-04 00:01:43 +09:00
Thomas Holder
c314c5a218
Refactor bg_grad
2023-01-04 00:01:43 +09:00
Jarrett Johnson
d24468af04
Provide warning for comma-separated delete args
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Fixes #255
2022-10-25 01:32:01 -04:00
Jarrett Johnson
d695e12594
Fix TypeError in Lighting plugin
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Fixes #264
2022-10-09 16:07:57 -04:00
Thomas Holder
5ba0ba903b
Fix testSave_symmetry__mmtf for msgpack-cpp=4.1.2 ( #262 )
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Floats may be stored as integers in msgpack, and msgpack-cpp does that
proactively since version 4.1.2. That broke the `unitCell` angle round
trip in `testSave_symmetry__mmtf`.
See also:
https://github.com/rcsb/mmtf-c/pull/35
https://github.com/msgpack/msgpack-c/pull/1018
2022-10-06 15:07:42 -04:00
Thomas Holder
006645fad5
Fix crash when loading discrete object ( #261 )
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Follow-up on "PYMOL-3840 Fix cartoon rep memory init"
682572b978
2022-10-05 21:41:48 -04:00
Thomas Holder
e638e08f23
Fix build error in Pool.__del__ ( #260 )
2022-10-05 14:37:10 -04:00
Thomas Holder
85b6ce440a
New setting: cell_centered ( #259 )
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Closes https://github.com/schrodinger/pymol-open-source/issues/258
2022-10-05 11:15:15 -04:00
Jarrett Johnson
59ca205a81
cgo::draw::cone
2022-08-17 15:04:34 -04:00
Jarrett Johnson
c63963792c
PYMOL-3403: Fix grid_mode not working in batch mode
2022-08-17 15:04:18 -04:00
Jarrett Johnson
094003573c
fix png, ray=1 grid_mode single
2022-08-17 15:04:09 -04:00
Jarrett Johnson
3d81f20dbf
replace int by GridMode
2022-08-17 15:03:15 -04:00
Jarrett Johnson
91f3ead318
GridMode enum
2022-08-17 15:03:08 -04:00
Jarrett Johnson
d94a11474c
Avoid implicit narrowing conversion
2022-08-17 15:03:00 -04:00
Jarrett Johnson
666beb1bd0
PYMOL-3857 failing load cmd with quoted backslashes
2022-08-17 15:02:49 -04:00
Jarrett Johnson
53f1d78106
Abstract many C++ viewport calls
2022-08-17 15:02:29 -04:00
Jarrett Johnson
1b910b9641
fix LG compilation; clang format
2022-08-17 14:52:18 -04:00
Jarrett Johnson
8f14cee822
SceneRenderInfo and other misc render API changes
2022-08-17 14:50:48 -04:00
Jarrett Johnson
3ff4ec4b00
Decouple offscreen rendering logic from AA request
2022-08-17 14:47:23 -04:00
Jarrett Johnson
58730721d2
SceneRender.cpp clang format
2022-08-17 14:28:56 -04:00
Jarrett Johnson
0175c0d918
fix compiler error
2022-08-17 14:25:32 -04:00
Jarrett Johnson
6de35cd627
Initial pass of Scene Render refactor
2022-08-17 14:23:55 -04:00
Jarrett Johnson
95d3d1eba5
Fix #242 Centos7 glm too old for vec3=vec4
2022-07-12 12:16:45 -04:00
ys_song
ecc93c9806
correct plugin install behavior ( #236 )
2022-06-13 12:14:01 -04:00
Daniel Farrell
c28e663085
Use XDG_CONFIG_HOME for pymolrc ( #235 )
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* Update invocation.py
2022-06-06 06:22:03 -04:00
Jarrett Johnson
8b553202bc
Fix CGOs with abnormally small values not displaying
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Fix #220
2022-05-04 17:08:52 -04:00
Jarrett Johnson
682572b978
PYMOL-3840 Fix cartoon rep memory init
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Fix #234
Commit that introduced bug: e4856c2fe4026d69b768190a3ff144873a199189
2022-05-04 15:54:44 -04:00
Thomas Stewart
07d9206379
PYMOL-3823: Fix for misleading h-bonds
2022-05-04 15:54:43 -04:00
Jarrett Johnson
1f94226f5f
PYMOL-3726 Update surface color on ramp rename
2022-05-04 15:54:40 -04:00
Jarrett Johnson
7ab93eaee4
PYMOL-3855 Fix saving colors with null names
2022-05-04 15:54:36 -04:00
