Opened 8 hours ago
#19537 new defect
ChimeraX bug report submission
| Reported by: | Owned by: | ||
|---|---|---|---|
| Priority: | normal | Milestone: | |
| Component: | Unassigned | Version: | |
| Keywords: | Cc: | ||
| Blocked By: | Blocking: | ||
| Notify when closed: | Platform: | ||
| Project: |
Description
The following bug report has been submitted:
Platform: Windows-10-10.0.26200
ChimeraX Version: 1.11 (2025-12-17 06:45:39 UTC)
Description
Replace this text with list of actions that caused this problem to occur
Log:
UCSF ChimeraX version: 1.11 (2025-12-17)
© 2016-2025 Regents of the University of California. All rights reserved.
How to cite UCSF ChimeraX
> open E:\桌面\何琴\酶催化腔计算材料—何琴\Dm-dNK\WT.pdb format pdb
Chain information for WT.pdb #1
---
Chain | Description
? | No description available
Computing secondary structure
> open E:\桌面\何琴\酶催化腔计算材料—何琴\Dm-dNK\WT_inclusion.pdb format pdb
> open E:\桌面\何琴\酶催化腔计算材料—何琴\Dm-dNK\M1.pdb format pdb
Chain information for M1.pdb #3
---
Chain | Description
? | No description available
Computing secondary structure
> open E:\桌面\何琴\酶催化腔计算材料—何琴\Dm-dNK\M1_inclusion.pdb format pdb
> open E:\桌面\何琴\酶催化腔计算材料—何琴\Dm-dNK\M2.pdb format pdb
Chain information for M2.pdb #5
---
Chain | Description
? | No description available
Computing secondary structure
> open E:\桌面\何琴\酶催化腔计算材料—何琴\Dm-dNK\M2_inclusion.pdb format pdb
> open E:\桌面\何琴\酶催化腔计算材料—何琴\Dm-dNK\M3.pdb format pdb
Chain information for M3.pdb #7
---
Chain | Description
? | No description available
Computing secondary structure
> open E:\桌面\何琴\酶催化腔计算材料—何琴\Dm-dNK\M3_inclusion.pdb format pdb
> matchmaker #3 to #1
Parameters
---
Chain pairing | bb
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker WT.pdb, chain (blank) (#1) with M1.pdb, chain (blank) (#3),
sequence alignment score = 1298.6
RMSD between 250 pruned atom pairs is 0.005 angstroms; (across all 250 pairs:
0.005)
> matchmaker #5 to #1
Parameters
---
Chain pairing | bb
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker WT.pdb, chain (blank) (#1) with M2.pdb, chain (blank) (#5),
sequence alignment score = 1300.2
RMSD between 250 pruned atom pairs is 0.004 angstroms; (across all 250 pairs:
0.004)
> matchmaker #7 to #1
Parameters
---
Chain pairing | bb
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker WT.pdb, chain (blank) (#1) with M3.pdb, chain (blank) (#7),
sequence alignment score = 1298.8
RMSD between 250 pruned atom pairs is 0.004 angstroms; (across all 250 pairs:
0.004)
> setattr #2,4,6,8 atoms occupancy 1.0
Assigning occupancy attribute to 16716 items
> setattr #2,4,6,8 atoms radius 1.5
Assigning radius attribute to 16716 items
> molmap #2 3
Opened WT_inclusion.pdb map 3 as #9, grid size 36,37,37, pixel 1, shown at
level -1, step 1, values float32
> molmap #4 3
Opened M1_inclusion.pdb map 3 as #10, grid size 36,37,37, pixel 1, shown at
level -1, step 1, values float32
> molmap #6 3
Opened M2_inclusion.pdb map 3 as #11, grid size 37,37,37, pixel 1, shown at
level -1, step 1, values float32
> molmap #8 3
Opened M3_inclusion.pdb map 3 as #12, grid size 36,37,37, pixel 1, shown at
level -1, step 1, values float32
> hide #2,4,6,8 models
> volume #9 level 0.1 style surface color #3498db transparency 0.15
> volume #10 level 0.1 style surface color #2ecc71 transparency 0.15
> volume #11 level 0.1 style surface color #e67e22 transparency 0.15
> volume #12 level 0.1 style surface color #e74c3c transparency 0.15
> preset publication 1
Using preset: Overall Look / Publication 1 (Silhouettes)
Preset expands to these ChimeraX commands:
set bg white
graphics silhouettes t
lighting depthCue f
> color #1,3,5,7 gray
> hide #1,3,5,7 atoms
> show #1,3,5,7 cartoons
> show #1,3,5,7:88,110 atoms
> style #1,3,5,7:88,110 stick
Changed 88 atom styles
> color #1:88,110 #3498db
> color #3:88,110 #2ecc71
> color #5:88,110 #e67e22
> color #7:88,110 #e74c3c
> volume #9 level 0.1
> volume #9 level -0.202
> volume #9 style mesh
> volume #9 style image
> volume #9 level 0.0001,0 level 9.001e-05,0.8 level 0,1
> volume #9 level 1,0 level 9.001e-05,0.8 level 0,1
> volume #9 level 3,0 level 9.001e-05,0.8 level 0,1
> volume #9 maximumIntensityProjection true
> volume #9 region 0,0,18,35,36,18 step 1 maximumIntensityProjection false
> showOutlineBox true
> volume #9 region 0,0,0,35,36,36 step 1
> volume #9 region 0,0,0,35,36,36 step 1 colorMode opaque8 orthoplanes xyz
> positionPlanes 17,18,18 imageMode orthoplanes
> volume #9 style surface
> volume #9 style mesh
> volume #9 style image colorMode auto8 imageMode "full region"
> volume #9 style surface
> volume #9 level 0.03738
> volume #9 level 0.1
> volume #9
> volume #12 level -0.3088
> volume #11 level -0.2499
> volume #10 level -0.2978
> volume #9 level -0.3383
> close session
> open E:\桌面\何琴\酶催化腔计算材料—何琴\Dm-dNK\WT.pdb format pdb
Chain information for WT.pdb #1
---
Chain | Description
? | No description available
Computing secondary structure
> open E:\桌面\何琴\酶催化腔计算材料—何琴\Dm-dNK\WT_inclusion.pdb format pdb
> open E:\桌面\何琴\酶催化腔计算材料—何琴\Dm-dNK\M1.pdb format pdb
Chain information for M1.pdb #3
---
Chain | Description
? | No description available
Computing secondary structure
> open E:\桌面\何琴\酶催化腔计算材料—何琴\Dm-dNK\M1_inclusion.pdb format pdb
> open E:\桌面\何琴\酶催化腔计算材料—何琴\Dm-dNK\M2.pdb format pdb
Chain information for M2.pdb #5
---
Chain | Description
? | No description available
Computing secondary structure
> open E:\桌面\何琴\酶催化腔计算材料—何琴\Dm-dNK\M2_inclusion.pdb format pdb
> open E:\桌面\何琴\酶催化腔计算材料—何琴\Dm-dNK\M3.pdb format pdb
Chain information for M3.pdb #7
---
Chain | Description
? | No description available
Computing secondary structure
> open E:\桌面\何琴\酶催化腔计算材料—何琴\Dm-dNK\M3_inclusion.pdb format pdb
> matchmaker #3 to #1
Parameters
---
Chain pairing | bb
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker WT.pdb, chain (blank) (#1) with M1.pdb, chain (blank) (#3),
sequence alignment score = 1298.6
RMSD between 250 pruned atom pairs is 0.005 angstroms; (across all 250 pairs:
0.005)
> matchmaker #5 to #1
Parameters
---
Chain pairing | bb
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker WT.pdb, chain (blank) (#1) with M2.pdb, chain (blank) (#5),
sequence alignment score = 1300.2
RMSD between 250 pruned atom pairs is 0.004 angstroms; (across all 250 pairs:
0.004)
> matchmaker #7 to #1
Parameters
---
Chain pairing | bb
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker WT.pdb, chain (blank) (#1) with M3.pdb, chain (blank) (#7),
sequence alignment score = 1298.8
RMSD between 250 pruned atom pairs is 0.004 angstroms; (across all 250 pairs:
0.004)
> volume gaussian #2 sDev 1 gridSpacing 0.5
Expected a keyword
> set bgColor black
> set bgColor transparent
> set bgColor white
> set bgColor #ffffff00
> lighting simple
> lighting soft
> lighting full
> lighting simple
> show cartoons
> hide cartoons
> show cartoons
> show atoms
> hide atoms
> movie record
> turn y 2 180
> wait 180
> movie encode C:\Users\Public\Desktop\movie1.mp4
C:\Program Files\ChimeraX 1.11\bin\ffmpeg.exe -r 25 -i
C:\Users\Lenovo\AppData\Local\Temp\chimovie_mjwW-%05d.ppm -vf
crop=floor(in_w/2)*2:floor(in_h/2)*2:0:0 -y -vcodec libx264 -f mp4 -pix_fmt
yuv420p -crf 20 C:\Users\Public\Desktop\movie1.mp4
stdout:
stderr:
ffmpeg version 6.1.1-essentials_build-www.gyan.dev Copyright (c) 2000-2023 the
FFmpeg developers
built with gcc 12.2.0 (Rev10, Built by MSYS2 project)
configuration: --enable-gpl --enable-version3 --enable-static --pkg-
config=pkgconf --disable-w32threads --disable-autodetect --enable-fontconfig
--enable-iconv --enable-gnutls --enable-libxml2 --enable-gmp --enable-bzlib
--enable-lzma --enable-zlib --enable-libsrt --enable-libssh --enable-libzmq
--enable-avisynth --enable-sdl2 --enable-libwebp --enable-libx264 --enable-
libx265 --enable-libxvid --enable-libaom --enable-libopenjpeg --enable-libvpx
--enable-mediafoundation --enable-libass --enable-libfreetype --enable-
libfribidi --enable-libharfbuzz --enable-libvidstab --enable-libvmaf --enable-
libzimg --enable-amf --enable-cuda-llvm --enable-cuvid --enable-ffnvcodec
--enable-nvdec --enable-nvenc --enable-dxva2 --enable-d3d11va --enable-libvpl
--enable-libgme --enable-libopenmpt --enable-libopencore-amrwb --enable-
libmp3lame --enable-libtheora --enable-libvo-amrwbenc --enable-libgsm
--enable-libopencore-amrnb --enable-libopus --enable-libspeex --enable-
libvorbis --enable-librubberband
libavutil 58. 29.100 / 58. 29.100
libavcodec 60. 31.102 / 60. 31.102
libavformat 60. 16.100 / 60. 16.100
libavdevice 60. 3.100 / 60. 3.100
libavfilter 9. 12.100 / 9. 12.100
libswscale 7. 5.100 / 7. 5.100
libswresample 4. 12.100 / 4. 12.100
libpostproc 57. 3.100 / 57. 3.100
Input #0, image2, from
'C:\Users\Lenovo\AppData\Local\Temp\chimovie_mjwW-%05d.ppm':
Duration: 00:00:07.20, start: 0.000000, bitrate: N/A
Stream #0:0: Video: ppm, rgb24, 1339x809, 25 fps, 25 tbr, 25 tbn
[out#0/mp4 @ 0000019b268fd940] Error opening output
C:\Users\Public\Desktop\movie1.mp4: Permission denied
Error opening output file C:\Users\Public\Desktop\movie1.mp4.
Error opening output files: Permission denied
An error occurred during encoding. See Reply Log for details.
Error during MPEG encoding:
\-----------------------------
Exit value: 4294967283
Error message:
stdout:
stderr:
ffmpeg version 6.1.1-essentials_build-www.gyan.dev Copyright (c) 2000-2023 the
FFmpeg developers
built with gcc 12.2.0 (Rev10, Built by MSYS2 project)
configuration: --enable-gpl --enable-version3 --enable-static --pkg-
config=pkgconf --disable-w32threads --disable-autodetect --enable-fontconfig
--enable-iconv --enable-gnutls --enable-libxml2 --enable-gmp --enable-bzlib
--enable-lzma --enable-zlib --enable-libsrt --enable-libssh --enable-libzmq
--enable-avisynth --enable-sdl2 --enable-libwebp --enable-libx264 --enable-
libx265 --enable-libxvid --enable-libaom --enable-libopenjpeg --enable-libvpx
--enable-mediafoundation --enable-libass --enable-libfreetype --enable-
libfribidi --enable-libharfbuzz --enable-libvidstab --enable-libvmaf --enable-
libzimg --enable-amf --enable-cuda-llvm --enable-cuvid --enable-ffnvcodec
--enable-nvdec --enable-nvenc --enable-dxva2 --enable-d3d11va --enable-libvpl
--enable-libgme --enable-libopenmpt --enable-libopencore-amrwb --enable-
libmp3lame --enable-libtheora --enable-libvo-amrwbenc --enable-libgsm
--enable-libopencore-amrnb --enable-libopus --enable-libspeex --enable-
libvorbis --enable-librubberband
libavutil 58. 29.100 / 58. 29.100
libavcodec 60. 31.102 / 60. 31.102
libavformat 60. 16.100 / 60. 16.100
libavdevice 60. 3.100 / 60. 3.100
libavfilter 9. 12.100 / 9. 12.100
libswscale 7. 5.100 / 7. 5.100
libswresample 4. 12.100 / 4. 12.100
libpostproc 57. 3.100 / 57. 3.100
Input #0, image2, from
'C:\Users\Lenovo\AppData\Local\Temp\chimovie_mjwW-%05d.ppm':
Duration: 00:00:07.20, start: 0.000000, bitrate: N/A
Stream #0:0: Video: ppm, rgb24, 1339x809, 25 fps, 25 tbr, 25 tbn
[out#0/mp4 @ 0000019b268fd940] Error opening output
C:\Users\Public\Desktop\movie1.mp4: Permission denied
Error opening output file C:\Users\Public\Desktop\movie1.mp4.
Error opening output files: Permission denied
\-----------------------------
> movie record
> turn y 2 180
> wait 180
> movie encode C:\Users\Public\Desktop\movie1.mp4
C:\Program Files\ChimeraX 1.11\bin\ffmpeg.exe -r 25 -i
C:\Users\Lenovo\AppData\Local\Temp\chimovie_mjwW-%05d.ppm -vf
crop=floor(in_w/2)*2:floor(in_h/2)*2:0:0 -y -vcodec libx264 -f mp4 -pix_fmt
yuv420p -crf 20 C:\Users\Public\Desktop\movie1.mp4
stdout:
stderr:
ffmpeg version 6.1.1-essentials_build-www.gyan.dev Copyright (c) 2000-2023 the
FFmpeg developers
built with gcc 12.2.0 (Rev10, Built by MSYS2 project)
configuration: --enable-gpl --enable-version3 --enable-static --pkg-
config=pkgconf --disable-w32threads --disable-autodetect --enable-fontconfig
--enable-iconv --enable-gnutls --enable-libxml2 --enable-gmp --enable-bzlib
--enable-lzma --enable-zlib --enable-libsrt --enable-libssh --enable-libzmq
--enable-avisynth --enable-sdl2 --enable-libwebp --enable-libx264 --enable-
libx265 --enable-libxvid --enable-libaom --enable-libopenjpeg --enable-libvpx
--enable-mediafoundation --enable-libass --enable-libfreetype --enable-
libfribidi --enable-libharfbuzz --enable-libvidstab --enable-libvmaf --enable-
libzimg --enable-amf --enable-cuda-llvm --enable-cuvid --enable-ffnvcodec
--enable-nvdec --enable-nvenc --enable-dxva2 --enable-d3d11va --enable-libvpl
--enable-libgme --enable-libopenmpt --enable-libopencore-amrwb --enable-
libmp3lame --enable-libtheora --enable-libvo-amrwbenc --enable-libgsm
--enable-libopencore-amrnb --enable-libopus --enable-libspeex --enable-
libvorbis --enable-librubberband
libavutil 58. 29.100 / 58. 29.100
libavcodec 60. 31.102 / 60. 31.102
libavformat 60. 16.100 / 60. 16.100
libavdevice 60. 3.100 / 60. 3.100
libavfilter 9. 12.100 / 9. 12.100
libswscale 7. 5.100 / 7. 5.100
libswresample 4. 12.100 / 4. 12.100
libpostproc 57. 3.100 / 57. 3.100
Input #0, image2, from
'C:\Users\Lenovo\AppData\Local\Temp\chimovie_mjwW-%05d.ppm':
Duration: 00:00:14.40, start: 0.000000, bitrate: N/A
Stream #0:0: Video: ppm, rgb24, 1339x809, 25 fps, 25 tbr, 25 tbn
[out#0/mp4 @ 000001b85be2d940] Error opening output
C:\Users\Public\Desktop\movie1.mp4: Permission denied
Error opening output file C:\Users\Public\Desktop\movie1.mp4.
Error opening output files: Permission denied
An error occurred during encoding. See Reply Log for details.
Error during MPEG encoding:
\-----------------------------
Exit value: 4294967283
Error message:
stdout:
stderr:
ffmpeg version 6.1.1-essentials_build-www.gyan.dev Copyright (c) 2000-2023 the
FFmpeg developers
built with gcc 12.2.0 (Rev10, Built by MSYS2 project)
configuration: --enable-gpl --enable-version3 --enable-static --pkg-
config=pkgconf --disable-w32threads --disable-autodetect --enable-fontconfig
--enable-iconv --enable-gnutls --enable-libxml2 --enable-gmp --enable-bzlib
--enable-lzma --enable-zlib --enable-libsrt --enable-libssh --enable-libzmq
--enable-avisynth --enable-sdl2 --enable-libwebp --enable-libx264 --enable-
libx265 --enable-libxvid --enable-libaom --enable-libopenjpeg --enable-libvpx
--enable-mediafoundation --enable-libass --enable-libfreetype --enable-
libfribidi --enable-libharfbuzz --enable-libvidstab --enable-libvmaf --enable-
libzimg --enable-amf --enable-cuda-llvm --enable-cuvid --enable-ffnvcodec
--enable-nvdec --enable-nvenc --enable-dxva2 --enable-d3d11va --enable-libvpl
--enable-libgme --enable-libopenmpt --enable-libopencore-amrwb --enable-
libmp3lame --enable-libtheora --enable-libvo-amrwbenc --enable-libgsm
--enable-libopencore-amrnb --enable-libopus --enable-libspeex --enable-
libvorbis --enable-librubberband
libavutil 58. 29.100 / 58. 29.100
libavcodec 60. 31.102 / 60. 31.102
libavformat 60. 16.100 / 60. 16.100
libavdevice 60. 3.100 / 60. 3.100
libavfilter 9. 12.100 / 9. 12.100
libswscale 7. 5.100 / 7. 5.100
libswresample 4. 12.100 / 4. 12.100
libpostproc 57. 3.100 / 57. 3.100
Input #0, image2, from
'C:\Users\Lenovo\AppData\Local\Temp\chimovie_mjwW-%05d.ppm':
Duration: 00:00:14.40, start: 0.000000, bitrate: N/A
Stream #0:0: Video: ppm, rgb24, 1339x809, 25 fps, 25 tbr, 25 tbn
[out#0/mp4 @ 000001b85be2d940] Error opening output
C:\Users\Public\Desktop\movie1.mp4: Permission denied
Error opening output file C:\Users\Public\Desktop\movie1.mp4.
Error opening output files: Permission denied
\-----------------------------
> save C:\Users\Public\Desktop\image1.png supersample 3
Permission denied writing file C:\Users\Public\Desktop\image1.png
> save C:\Users\Public\Desktop\image1.png supersample 3
Permission denied writing file C:\Users\Public\Desktop\image1.png
> save C:\Users\Public\Desktop\image1.png supersample 3
Permission denied writing file C:\Users\Public\Desktop\image1.png
> show atoms
> hide atoms
> show cartoons
> hide cartoons
> show cartoons
> hide surfaces
> show surfaces
> hide surfaces
> style stick
Changed 33012 atom styles
> style sphere
Changed 33012 atom styles
> style ball
Changed 33012 atom styles
> nucleotides atoms
> style nucleic stick
Changed 0 atom styles
> color byhetero
> color bychain
> color bypolymer
> rainbow
> coulombic
Residue M3_inclusion.pdb #8/X C 1832 changed CSL→C
Computing secondary structure
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.11\bin\Lib\site-
packages\chimerax\addh\cmd.py", line 77, in cmd_addh
add_h_func(session, structures, template=template, in_isolation=in_isolation,
**prot_schemes)
File "C:\Program Files\ChimeraX 1.11\bin\Lib\site-
packages\chimerax\addh\cmd.py", line 143, in simple_add_hydrogens
_prep_add(session, structures, unknowns_info, template, **prot_schemes)
File "C:\Program Files\ChimeraX 1.11\bin\Lib\site-
packages\chimerax\addh\cmd.py", line 540, in _prep_add
for atom in struct.atoms:
^^^^^^^^^^^^
File "C:\Program Files\ChimeraX 1.11\bin\Lib\site-
packages\chimerax\atomic\molc.py", line 179, in get_prop
vcount = getattr(self, value_count)
^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\Program Files\ChimeraX 1.11\bin\Lib\site-
packages\chimerax\atomic\molc.py", line 111, in get_prop
cget(self._c_pointer_ref, 1, v_ref)
^^^^^^^^^^^^^^^^^^^
AttributeError: 'AtomicStructure' object has no attribute '_c_pointer_ref'
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.11\bin\Lib\site-
packages\chimerax\coulombic\coulombic.py", line 95, in assign_charges
cmd_addh(session, addh_structures, hbond=hbond)
File "C:\Program Files\ChimeraX 1.11\bin\Lib\site-
packages\chimerax\addh\cmd.py", line 84, in cmd_addh
structure.alt_loc_change_notify = True
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\Program Files\ChimeraX 1.11\bin\Lib\site-
packages\chimerax\graphics\drawing.py", line 266, in __setattr__
super(Drawing, self).__setattr__(key, value)
File "C:\Program Files\ChimeraX 1.11\bin\Lib\site-
packages\chimerax\atomic\molc.py", line 130, in set_prop
cset(self._c_pointer_ref, 1, v_ref)
^^^^^^^^^^^^^^^^^^^
AttributeError: 'AtomicStructure' object has no attribute '_c_pointer_ref'
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.11\bin\Lib\site-
packages\chimerax\toolbar\tool.py", line 230, in callback
bundle_info.run_provider(session, name, session.toolbar,
display_name=display_name)
File "C:\Program Files\ChimeraX 1.11\bin\Lib\site-
packages\chimerax\core\toolshed\info.py", line 397, in run_provider
return api._api_caller.run_provider(api, session, name, mgr, **kw)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\Program Files\ChimeraX 1.11\bin\Lib\site-
packages\chimerax\core\toolshed\\__init__.py", line 1420, in run_provider
return cls._get_func(api, "run_provider")(session, name, mgr, **kw)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\Program Files\ChimeraX 1.11\bin\Lib\site-
packages\chimerax\shortcuts\\__init__.py", line 66, in run_provider
shortcuts.run_provider(session, name)
File "C:\Program Files\ChimeraX 1.11\bin\Lib\site-
packages\chimerax\shortcuts\shortcuts.py", line 1393, in run_provider
keyboard_shortcuts(session).try_shortcut(name)
File "C:\Program Files\ChimeraX 1.11\bin\Lib\site-
packages\chimerax\shortcuts\shortcuts.py", line 403, in try_shortcut
self.run_shortcut(keys)
File "C:\Program Files\ChimeraX 1.11\bin\Lib\site-
packages\chimerax\shortcuts\shortcuts.py", line 421, in run_shortcut
sc.run(self.session, status = self._enabled)
File "C:\Program Files\ChimeraX 1.11\bin\Lib\site-
packages\chimerax\shortcuts\shortcuts.py", line 340, in run
f(s)
File "C:\Program Files\ChimeraX 1.11\bin\Lib\site-
packages\chimerax\shortcuts\shortcuts.py", line 72, in func_plus_tip
func(cmd + " %s")(session)
File "C:\Program Files\ChimeraX 1.11\bin\Lib\site-
packages\chimerax\shortcuts\shortcuts.py", line 594, in run_expanded_command
run(session, cmd)
File "C:\Program Files\ChimeraX 1.11\bin\Lib\site-
packages\chimerax\shortcuts\shortcuts.py", line 537, in run
run_command(session, command, **kw)
File "C:\Program Files\ChimeraX 1.11\bin\Lib\site-
packages\chimerax\core\commands\run.py", line 49, in run
results = command.run(text, log=log, return_json=return_json)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\Program Files\ChimeraX 1.11\bin\Lib\site-
packages\chimerax\core\commands\cli.py", line 3237, in run
result = ci.function(session, **kw_args)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\Program Files\ChimeraX 1.11\bin\Lib\site-
packages\chimerax\coulombic\cmd.py", line 102, in cmd_coulombic
assign_charges(session, needs_assignment, his_scheme, charge_method,
File "C:\Program Files\ChimeraX 1.11\bin\Lib\site-
packages\chimerax\coulombic\coulombic.py", line 101, in assign_charges
charged_struct.delete()
File "C:\Program Files\ChimeraX 1.11\bin\Lib\site-
packages\chimerax\atomic\structure.py", line 137, in delete
t = self.session.triggers
^^^^^^^^^^^^
AttributeError: 'AtomicStructure' object has no attribute 'session'
AttributeError: 'AtomicStructure' object has no attribute 'session'
File "C:\Program Files\ChimeraX 1.11\bin\Lib\site-
packages\chimerax\atomic\structure.py", line 137, in delete
t = self.session.triggers
^^^^^^^^^^^^
See log for complete Python traceback.
> coulombic
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.11\bin\Lib\site-
packages\chimerax\addh\cmd.py", line 77, in cmd_addh
add_h_func(session, structures, template=template, in_isolation=in_isolation,
**prot_schemes)
File "C:\Program Files\ChimeraX 1.11\bin\Lib\site-
packages\chimerax\addh\cmd.py", line 143, in simple_add_hydrogens
_prep_add(session, structures, unknowns_info, template, **prot_schemes)
File "C:\Program Files\ChimeraX 1.11\bin\Lib\site-
packages\chimerax\addh\cmd.py", line 540, in _prep_add
for atom in struct.atoms:
^^^^^^^^^^^^
File "C:\Program Files\ChimeraX 1.11\bin\Lib\site-
packages\chimerax\atomic\molc.py", line 179, in get_prop
vcount = getattr(self, value_count)
^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\Program Files\ChimeraX 1.11\bin\Lib\site-
packages\chimerax\atomic\molc.py", line 111, in get_prop
cget(self._c_pointer_ref, 1, v_ref)
^^^^^^^^^^^^^^^^^^^
AttributeError: 'AtomicStructure' object has no attribute '_c_pointer_ref'
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.11\bin\Lib\site-
packages\chimerax\coulombic\coulombic.py", line 95, in assign_charges
cmd_addh(session, addh_structures, hbond=hbond)
File "C:\Program Files\ChimeraX 1.11\bin\Lib\site-
packages\chimerax\addh\cmd.py", line 84, in cmd_addh
structure.alt_loc_change_notify = True
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\Program Files\ChimeraX 1.11\bin\Lib\site-
packages\chimerax\graphics\drawing.py", line 266, in __setattr__
super(Drawing, self).__setattr__(key, value)
File "C:\Program Files\ChimeraX 1.11\bin\Lib\site-
packages\chimerax\atomic\molc.py", line 130, in set_prop
cset(self._c_pointer_ref, 1, v_ref)
^^^^^^^^^^^^^^^^^^^
AttributeError: 'AtomicStructure' object has no attribute '_c_pointer_ref'
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.11\bin\Lib\site-
packages\chimerax\toolbar\tool.py", line 230, in callback
bundle_info.run_provider(session, name, session.toolbar,
display_name=display_name)
File "C:\Program Files\ChimeraX 1.11\bin\Lib\site-
packages\chimerax\core\toolshed\info.py", line 397, in run_provider
return api._api_caller.run_provider(api, session, name, mgr, **kw)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\Program Files\ChimeraX 1.11\bin\Lib\site-
packages\chimerax\core\toolshed\\__init__.py", line 1420, in run_provider
return cls._get_func(api, "run_provider")(session, name, mgr, **kw)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\Program Files\ChimeraX 1.11\bin\Lib\site-
packages\chimerax\shortcuts\\__init__.py", line 66, in run_provider
shortcuts.run_provider(session, name)
File "C:\Program Files\ChimeraX 1.11\bin\Lib\site-
packages\chimerax\shortcuts\shortcuts.py", line 1393, in run_provider
keyboard_shortcuts(session).try_shortcut(name)
File "C:\Program Files\ChimeraX 1.11\bin\Lib\site-
packages\chimerax\shortcuts\shortcuts.py", line 403, in try_shortcut
self.run_shortcut(keys)
File "C:\Program Files\ChimeraX 1.11\bin\Lib\site-
packages\chimerax\shortcuts\shortcuts.py", line 421, in run_shortcut
sc.run(self.session, status = self._enabled)
File "C:\Program Files\ChimeraX 1.11\bin\Lib\site-
packages\chimerax\shortcuts\shortcuts.py", line 340, in run
f(s)
File "C:\Program Files\ChimeraX 1.11\bin\Lib\site-
packages\chimerax\shortcuts\shortcuts.py", line 72, in func_plus_tip
func(cmd + " %s")(session)
File "C:\Program Files\ChimeraX 1.11\bin\Lib\site-
packages\chimerax\shortcuts\shortcuts.py", line 594, in run_expanded_command
run(session, cmd)
File "C:\Program Files\ChimeraX 1.11\bin\Lib\site-
packages\chimerax\shortcuts\shortcuts.py", line 537, in run
run_command(session, command, **kw)
File "C:\Program Files\ChimeraX 1.11\bin\Lib\site-
packages\chimerax\core\commands\run.py", line 49, in run
results = command.run(text, log=log, return_json=return_json)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\Program Files\ChimeraX 1.11\bin\Lib\site-
packages\chimerax\core\commands\cli.py", line 3237, in run
result = ci.function(session, **kw_args)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\Program Files\ChimeraX 1.11\bin\Lib\site-
packages\chimerax\coulombic\cmd.py", line 102, in cmd_coulombic
assign_charges(session, needs_assignment, his_scheme, charge_method,
File "C:\Program Files\ChimeraX 1.11\bin\Lib\site-
packages\chimerax\coulombic\coulombic.py", line 101, in assign_charges
charged_struct.delete()
File "C:\Program Files\ChimeraX 1.11\bin\Lib\site-
packages\chimerax\atomic\structure.py", line 137, in delete
t = self.session.triggers
^^^^^^^^^^^^
AttributeError: 'AtomicStructure' object has no attribute 'session'
AttributeError: 'AtomicStructure' object has no attribute 'session'
File "C:\Program Files\ChimeraX 1.11\bin\Lib\site-
packages\chimerax\atomic\structure.py", line 137, in delete
t = self.session.triggers
^^^^^^^^^^^^
See log for complete Python traceback.
OpenGL version: 3.3.0 NVIDIA 577.00
OpenGL renderer: NVIDIA GeForce GTX 1660 SUPER/PCIe/SSE2
OpenGL vendor: NVIDIA Corporation
Python: 3.11.9
Locale: zh_CN.cp936
Qt version: PyQt6 6.9.1, Qt 6.9.0
Qt runtime version: 6.9.2
Qt platform: windows
Manufacturer: LENOVO
Model: 90NK0001CP
OS: Microsoft Windows 11 家庭中文版 (Build 26200)
Memory: 16,909,565,952
MaxProcessMemory: 137,438,953,344
CPU: 16 Intel(R) Core(TM) i7-10700 CPU @ 2.90GHz
OSLanguage: zh-CN
Installed Packages:
aiohappyeyeballs: 2.6.1
aiohttp: 3.13.1
aiosignal: 1.4.0
alabaster: 1.0.0
annotated-types: 0.7.0
anyio: 4.12.0
appdirs: 1.4.4
asttokens: 3.0.1
attrs: 25.4.0
babel: 2.17.0
beautifulsoup4: 4.13.5
blockdiag: 3.0.0
blosc2: 3.12.2
build: 1.3.0
certifi: 2025.11.12
cftime: 1.6.5
charset-normalizer: 3.4.4
ChimeraX-AddCharge: 1.5.20
ChimeraX-AddH: 2.2.8
ChimeraX-AlignmentAlgorithms: 2.0.2
ChimeraX-AlignmentHdrs: 3.6.1
ChimeraX-AlignmentMatrices: 2.1
ChimeraX-Alignments: 3.1.1
ChimeraX-AlphaFold: 1.0.1
ChimeraX-AltlocExplorer: 1.2
ChimeraX-AmberInfo: 1.0
ChimeraX-Animations: 1.0
ChimeraX-Aniso: 1.3.2
ChimeraX-Arrays: 1.1
ChimeraX-Atomic: 1.61.4
ChimeraX-AtomicLibrary: 14.2.1
ChimeraX-AtomSearch: 2.0.1
ChimeraX-AxesPlanes: 2.4
ChimeraX-BasicActions: 1.1.3
ChimeraX-BILD: 1.0
ChimeraX-BlastProtein: 3.0.0
ChimeraX-Boltz: 1.1
ChimeraX-BondRot: 2.0.4
ChimeraX-BugReporter: 1.0.2
ChimeraX-BuildStructure: 2.13.1
ChimeraX-Bumps: 1.0
ChimeraX-BundleBuilder: 1.6.0
ChimeraX-ButtonPanel: 1.0.1
ChimeraX-CageBuilder: 1.0.1
ChimeraX-CellPack: 1.0
ChimeraX-Centroids: 1.4
ChimeraX-ChangeChains: 1.1
ChimeraX-CheckWaters: 1.5
ChimeraX-ChemGroup: 2.0.2
ChimeraX-Clashes: 2.3
ChimeraX-ColorActions: 1.0.5
ChimeraX-ColorGlobe: 1.0
ChimeraX-ColorKey: 1.5.8
ChimeraX-CommandLine: 1.3.0
ChimeraX-ConnectStructure: 2.0.1
ChimeraX-Contacts: 1.0.1
ChimeraX-Core: 1.11
ChimeraX-CoreFormats: 1.2
ChimeraX-coulombic: 1.4.5
ChimeraX-Crosslinks: 1.0
ChimeraX-Crystal: 1.0
ChimeraX-CrystalContacts: 1.0.1
ChimeraX-DataFormats: 1.2.4
ChimeraX-Dicom: 1.2.7
ChimeraX-DistMonitor: 1.4.2
ChimeraX-DockPrep: 1.1.4
ChimeraX-Dssp: 2.0
ChimeraX-EMDB-SFF: 1.0
ChimeraX-ESMFold: 1.0
ChimeraX-FileHistory: 1.0.1
ChimeraX-FunctionKey: 1.0.1
ChimeraX-Geometry: 1.3
ChimeraX-gltf: 1.0
ChimeraX-Graphics: 1.4.1
ChimeraX-Hbonds: 2.5.3
ChimeraX-Help: 1.3
ChimeraX-HKCage: 1.3
ChimeraX-IHM: 1.1
ChimeraX-ImageFormats: 1.2
ChimeraX-IMOD: 1.0
ChimeraX-IO: 1.0.4
ChimeraX-ItemsInspection: 1.0.1
ChimeraX-IUPAC: 1.0
ChimeraX-KVFinder: 1.7.3
ChimeraX-Label: 1.2
ChimeraX-ListInfo: 1.2.2
ChimeraX-Log: 1.2.2
ChimeraX-LookingGlass: 1.1
ChimeraX-Maestro: 1.9.2
ChimeraX-Map: 1.3
ChimeraX-MapData: 2.0
ChimeraX-MapEraser: 1.0.1
ChimeraX-MapFilter: 2.0.1
ChimeraX-MapFit: 2.0
ChimeraX-MapSeries: 2.1.1
ChimeraX-Markers: 1.0.1
ChimeraX-Mask: 1.0.2
ChimeraX-maskChains: 1.4
ChimeraX-MatchMaker: 2.2.2
ChimeraX-MCopy: 1.0
ChimeraX-MCPServer: 0.1.0
ChimeraX-MDcrds: 2.17.2
ChimeraX-MedicalToolbar: 1.1
ChimeraX-Meeting: 1.0.1
ChimeraX-Minimize: 1.3.2
ChimeraX-MLP: 1.1.1
ChimeraX-mmCIF: 2.16
ChimeraX-MMTF: 2.2
ChimeraX-ModelArchive: 1.0
ChimeraX-Modeller: 1.5.22
ChimeraX-ModelPanel: 1.6
ChimeraX-ModelSeries: 1.0.1
ChimeraX-Mol2: 2.0.3
ChimeraX-Mole: 1.0
ChimeraX-Morph: 1.0.2
ChimeraX-MouseModes: 1.2
ChimeraX-Movie: 1.0.1
ChimeraX-MutationScores: 1.0
ChimeraX-Neuron: 1.0
ChimeraX-Nifti: 1.2
ChimeraX-NMRSTAR: 1.0.2
ChimeraX-NRRD: 1.2
ChimeraX-Nucleotides: 2.0.3
ChimeraX-OpenCommand: 1.15.2
ChimeraX-OrthoPick: 1.0.1
ChimeraX-PDB: 2.7.11
ChimeraX-PDBBio: 1.0.1
ChimeraX-PDBLibrary: 1.0.5
ChimeraX-PDBMatrices: 1.0
ChimeraX-PickBlobs: 1.0.1
ChimeraX-Positions: 1.0
ChimeraX-PresetMgr: 1.1.4
ChimeraX-ProfileGrids: 1.4.2
ChimeraX-PubChem: 2.2
ChimeraX-ReadPbonds: 1.0.1
ChimeraX-Registration: 1.1.2
ChimeraX-RemoteControl: 1.0
ChimeraX-RenderByAttr: 1.6.5
ChimeraX-RenumberResidues: 1.1
ChimeraX-ResidueFit: 1.0.1
ChimeraX-RestServer: 1.3.3
ChimeraX-RNALayout: 1.0
ChimeraX-RotamerLibMgr: 4.0
ChimeraX-RotamerLibsDunbrack: 2.0
ChimeraX-RotamerLibsDynameomics: 2.0
ChimeraX-RotamerLibsRichardson: 2.0
ChimeraX-SaveCommand: 1.5.2
ChimeraX-Scenes: 0.3.1
ChimeraX-SchemeMgr: 1.0
ChimeraX-SDF: 2.0.3
ChimeraX-Segger: 1.0
ChimeraX-Segment: 1.0.1
ChimeraX-Segmentations: 3.5.10
ChimeraX-SelInspector: 1.0
ChimeraX-SeqView: 2.17.3
ChimeraX-Shape: 1.1
ChimeraX-Shell: 1.0.1
ChimeraX-Shortcuts: 1.2.1
ChimeraX-ShowSequences: 1.0.3
ChimeraX-SideView: 1.0.1
ChimeraX-SimilarStructures: 1.0.1
ChimeraX-Smiles: 2.1.2
ChimeraX-SmoothLines: 1.0
ChimeraX-SpaceNavigator: 1.0
ChimeraX-StdCommands: 1.19.1
ChimeraX-STL: 1.0.1
ChimeraX-Storm: 1.0
ChimeraX-StructMeasure: 1.2.1
ChimeraX-Struts: 1.0.1
ChimeraX-Surface: 1.0.1
ChimeraX-SwapAA: 2.0.1
ChimeraX-SwapRes: 2.5.2
ChimeraX-TapeMeasure: 1.0
ChimeraX-TaskManager: 1.0
ChimeraX-Test: 1.0
ChimeraX-Toolbar: 1.2.3
ChimeraX-ToolshedUtils: 1.2.4
ChimeraX-Topography: 1.0
ChimeraX-ToQuest: 1.0
ChimeraX-Tug: 1.0.1
ChimeraX-UI: 1.49.1
ChimeraX-Umap: 1.0
ChimeraX-uniprot: 2.3.2
ChimeraX-UnitCell: 1.0.1
ChimeraX-ViewDock: 1.5.2
ChimeraX-VIPERdb: 1.0
ChimeraX-Vive: 1.1
ChimeraX-VolumeMenu: 1.0.1
ChimeraX-vrml: 1.0
ChimeraX-VTK: 1.0
ChimeraX-WavefrontOBJ: 1.0
ChimeraX-WebCam: 1.0.2
ChimeraX-WebServices: 1.1.5
ChimeraX-Zone: 1.0.1
click: 8.3.1
colorama: 0.4.6
comm: 0.2.3
comtypes: 1.4.11
contourpy: 1.3.3
coverage: 7.13.0
cxservices: 1.2.3
cycler: 0.12.1
Cython: 3.1.4
debugpy: 1.8.19
decorator: 5.2.1
docutils: 0.21.2
executing: 2.2.1
filelock: 3.19.1
fonttools: 4.61.1
frozenlist: 1.8.0
funcparserlib: 2.0.0a0
glfw: 2.10.0
grako: 3.16.5
h11: 0.16.0
h5py: 3.15.1
html2text: 2025.4.15
httpcore: 1.0.9
httpx: 0.28.1
httpx-sse: 0.4.3
idna: 3.11
ihm: 2.2
imagecodecs: 2024.6.1
imagesize: 1.4.1
iniconfig: 2.3.0
ipykernel: 6.30.1
ipython: 9.5.0
ipython_pygments_lexers: 1.1.1
ipywidgets: 8.1.8
jedi: 0.19.2
Jinja2: 3.1.6
jsonschema: 4.25.1
jsonschema-specifications: 2025.9.1
jupyter_client: 8.6.3
jupyter_core: 5.9.1
jupyterlab_widgets: 3.0.16
kiwisolver: 1.4.9
line_profiler: 5.0.0
lxml: 6.0.2
lz4: 4.3.2
Markdown: 3.8.2
MarkupSafe: 3.0.3
matplotlib: 3.10.7
matplotlib-inline: 0.2.1
mcp: 1.18.0
msgpack: 1.1.1
multidict: 6.7.0
ndindex: 1.10.1
nest-asyncio: 1.6.0
netCDF4: 1.6.5
networkx: 3.3
nibabel: 5.2.0
nptyping: 2.5.0
numexpr: 2.14.1
numpy: 1.26.4
nvidia-nvjitlink-cu12: 12.9.86
OpenMM: 8.2.0
OpenMM-CUDA-12: 8.2.0
openvr: 1.26.701
packaging: 25.0
ParmEd: 4.2.2
parso: 0.8.5
pep517: 0.13.1
pickleshare: 0.7.5
pillow: 11.3.0
pip: 25.2
pkginfo: 1.12.1.2
platformdirs: 4.5.1
pluggy: 1.6.0
prompt_toolkit: 3.0.52
propcache: 0.4.1
psutil: 7.0.0
pure_eval: 0.2.3
py-cpuinfo: 9.0.0
pybind11: 3.0.1
pycollada: 0.8
pydantic: 2.12.5
pydantic-settings: 2.12.0
pydantic_core: 2.41.5
pydicom: 2.4.4
Pygments: 2.18.0
pynmrstar: 3.3.6
pynrrd: 1.0.0
PyOpenGL: 3.1.10
PyOpenGL-accelerate: 3.1.10
pyopenxr: 1.1.4501
pyparsing: 3.2.5
pyproject_hooks: 1.2.0
PyQt6-commercial: 6.9.1
PyQt6-Qt6: 6.9.2
PyQt6-WebEngine-commercial: 6.9.0
PyQt6-WebEngine-Qt6: 6.9.2
PyQt6_sip: 13.10.2
pytest: 9.0.2
pytest-cov: 7.0.0
python-dateutil: 2.9.0.post0
python-dotenv: 1.2.1
python-multipart: 0.0.21
pytz: 2025.2
pywin32: 311
pyzmq: 27.1.0
qtconsole: 5.7.0
QtPy: 2.4.3
qtshim: 1.2
RandomWords: 0.4.0
referencing: 0.37.0
requests: 2.32.5
roman-numerals: 4.0.0
roman-numerals-py: 4.0.0
rpds-py: 0.30.0
scipy: 1.14.0
setuptools: 80.9.0
sfftk-rw: 0.8.1
six: 1.17.0
snowballstemmer: 3.0.1
sortedcontainers: 2.4.0
soupsieve: 2.8
Sphinx: 8.2.3
sphinx-autodoc-typehints: 3.2.0
sphinxcontrib-applehelp: 2.0.0
sphinxcontrib-blockdiag: 3.0.0
sphinxcontrib-devhelp: 2.0.0
sphinxcontrib-htmlhelp: 2.1.0
sphinxcontrib-jsmath: 1.0.1
sphinxcontrib-qthelp: 2.0.0
sphinxcontrib-serializinghtml: 2.0.0
sse-starlette: 3.0.4
stack-data: 0.6.3
starlette: 0.50.0
superqt: 0.7.6
tables: 3.10.2
tcia_utils: 1.5.1
tifffile: 2025.3.13
tinyarray: 1.2.5
tornado: 6.5.4
traitlets: 5.14.3
typing-inspection: 0.4.2
typing_extensions: 4.15.0
tzdata: 2025.3
urllib3: 2.6.2
uvicorn: 0.38.0
wcwidth: 0.2.14
webcolors: 24.11.1
wheel: 0.45.1
wheel-filename: 1.4.2
widgetsnbextension: 4.0.15
WMI: 1.5.1
yarl: 1.22.0
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