Opened 4 months ago
Closed 4 months ago
#17990 closed defect (can't reproduce)
Crash opening .gro file
| Reported by: | Owned by: | Eric Pettersen | |
|---|---|---|---|
| Priority: | normal | Milestone: | |
| Component: | MD/Ensemble Analysis | Version: | |
| Keywords: | Cc: | ||
| Blocked By: | Blocking: | ||
| Notify when closed: | Platform: | all | |
| Project: | ChimeraX |
Description
The following bug report has been submitted:
Platform: Windows-10-10.0.26100
ChimeraX Version: 1.10rc202505310246 (2025-05-31 02:46:39 UTC)
Description
Last time you used ChimeraX it crashed.
Please describe steps that led to the crash here.
Windows fatal exception: code 0x8009002a
Thread 0x00008498 (most recent call first):
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 324 in wait
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 622 in wait
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 1392 in run
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 1038 in _bootstrap_inner
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 995 in _bootstrap
Thread 0x00008b98 (most recent call first):
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\multiprocessing\pool.py", line 579 in _handle_results
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 975 in run
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 1038 in _bootstrap_inner
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 995 in _bootstrap
Thread 0x000077fc (most recent call first):
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\multiprocessing\pool.py", line 531 in _handle_tasks
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 975 in run
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 1038 in _bootstrap_inner
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 995 in _bootstrap
Thread 0x000002d0 (most recent call first):
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\multiprocessing\connection.py", line 810 in _exhaustive_wait
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\multiprocessing\connection.py", line 878 in wait
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\multiprocessing\pool.py", line 502 in _wait_for_updates
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\multiprocessing\pool.py", line 522 in _handle_workers
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 975 in run
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 1038 in _bootstrap_inner
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 995 in _bootstrap
Thread 0x0000898c (most recent call first):
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\multiprocessing\pool.py", line 114 in worker
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 975 in run
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 1038 in _bootstrap_inner
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 995 in _bootstrap
Thread 0x0000819c (most recent call first):
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\multiprocessing\pool.py", line 114 in worker
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 975 in run
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 1038 in _bootstrap_inner
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 995 in _bootstrap
Thread 0x00000b78 (most recent call first):
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\multiprocessing\pool.py", line 114 in worker
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 975 in run
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 1038 in _bootstrap_inner
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 995 in _bootstrap
Thread 0x00001d3c (most recent call first):
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\multiprocessing\pool.py", line 114 in worker
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 975 in run
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 1038 in _bootstrap_inner
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 995 in _bootstrap
Thread 0x00003460 (most recent call first):
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\multiprocessing\pool.py", line 114 in worker
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 975 in run
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 1038 in _bootstrap_inner
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 995 in _bootstrap
Thread 0x000084ac (most recent call first):
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\multiprocessing\pool.py", line 114 in worker
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 975 in run
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 1038 in _bootstrap_inner
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 995 in _bootstrap
Thread 0x000010a4 (most recent call first):
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\multiprocessing\pool.py", line 114 in worker
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 975 in run
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 1038 in _bootstrap_inner
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 995 in _bootstrap
Thread 0x00007670 (most recent call first):
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\multiprocessing\pool.py", line 114 in worker
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 975 in run
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 1038 in _bootstrap_inner
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 995 in _bootstrap
Thread 0x00002940 (most recent call first):
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\multiprocessing\pool.py", line 114 in worker
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 975 in run
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 1038 in _bootstrap_inner
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 995 in _bootstrap
Thread 0x00007c58 (most recent call first):
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\multiprocessing\pool.py", line 114 in worker
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 975 in run
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 1038 in _bootstrap_inner
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 995 in _bootstrap
Thread 0x000018fc (most recent call first):
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\multiprocessing\pool.py", line 114 in worker
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 975 in run
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 1038 in _bootstrap_inner
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 995 in _bootstrap
Thread 0x00003464 (most recent call first):
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\multiprocessing\pool.py", line 114 in worker
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 975 in run
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 1038 in _bootstrap_inner
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 995 in _bootstrap
Thread 0x0000839c (most recent call first):
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\multiprocessing\pool.py", line 114 in worker
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 975 in run
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 1038 in _bootstrap_inner
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 995 in _bootstrap
Thread 0x00005b4c (most recent call first):
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\multiprocessing\pool.py", line 114 in worker
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 975 in run
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 1038 in _bootstrap_inner
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 995 in _bootstrap
Thread 0x00001d2c (most recent call first):
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\multiprocessing\pool.py", line 114 in worker
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 975 in run
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 1038 in _bootstrap_inner
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 995 in _bootstrap
Thread 0x00006560 (most recent call first):
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\multiprocessing\pool.py", line 114 in worker
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 975 in run
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 1038 in _bootstrap_inner
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 995 in _bootstrap
Thread 0x00001838 (most recent call first):
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\multiprocessing\pool.py", line 114 in worker
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 975 in run
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 1038 in _bootstrap_inner
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 995 in _bootstrap
Thread 0x00001fac (most recent call first):
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\multiprocessing\pool.py", line 114 in worker
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 975 in run
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 1038 in _bootstrap_inner
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 995 in _bootstrap
Thread 0x00007868 (most recent call first):
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\multiprocessing\pool.py", line 114 in worker
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 975 in run
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 1038 in _bootstrap_inner
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 995 in _bootstrap
Thread 0x00002dc0 (most recent call first):
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\multiprocessing\pool.py", line 114 in worker
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 975 in run
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 1038 in _bootstrap_inner
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 995 in _bootstrap
Thread 0x00001940 (most recent call first):
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\multiprocessing\pool.py", line 114 in worker
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 975 in run
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 1038 in _bootstrap_inner
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 995 in _bootstrap
Thread 0x00006d90 (most recent call first):
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\multiprocessing\pool.py", line 114 in worker
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 975 in run
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 1038 in _bootstrap_inner
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 995 in _bootstrap
Thread 0x00003ed4 (most recent call first):
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\multiprocessing\pool.py", line 114 in worker
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 975 in run
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 1038 in _bootstrap_inner
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 995 in _bootstrap
Thread 0x00007184 (most recent call first):
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\multiprocessing\pool.py", line 114 in worker
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 975 in run
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 1038 in _bootstrap_inner
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 995 in _bootstrap
Thread 0x00002f30 (most recent call first):
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\multiprocessing\pool.py", line 114 in worker
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 975 in run
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 1038 in _bootstrap_inner
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 995 in _bootstrap
Thread 0x00006d2c (most recent call first):
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\multiprocessing\pool.py", line 114 in worker
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 975 in run
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 1038 in _bootstrap_inner
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 995 in _bootstrap
Thread 0x00002330 (most recent call first):
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\multiprocessing\pool.py", line 114 in worker
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 975 in run
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 1038 in _bootstrap_inner
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 995 in _bootstrap
Thread 0x00008b90 (most recent call first):
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\multiprocessing\pool.py", line 114 in worker
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 975 in run
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 1038 in _bootstrap_inner
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 995 in _bootstrap
Thread 0x00007620 (most recent call first):
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\multiprocessing\pool.py", line 114 in worker
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 975 in run
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 1038 in _bootstrap_inner
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 995 in _bootstrap
Thread 0x000022ec (most recent call first):
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\multiprocessing\pool.py", line 114 in worker
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 975 in run
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 1038 in _bootstrap_inner
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 995 in _bootstrap
Thread 0x00002f60 (most recent call first):
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\multiprocessing\pool.py", line 114 in worker
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 975 in run
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 1038 in _bootstrap_inner
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 995 in _bootstrap
Thread 0x00002a48 (most recent call first):
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\multiprocessing\pool.py", line 114 in worker
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 975 in run
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 1038 in _bootstrap_inner
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\threading.py", line 995 in _bootstrap
Current thread 0x0000248c (most recent call first):
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\site-packages\chimerax\ui\gui.py", line 368 in event_loop
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\site-packages\chimerax\core\__main__.py", line 1057 in init
File "C:\Program Files\ChimeraX 1.10rc202505310246\bin\Lib\site-packages\chimerax\core\__main__.py", line 1220 in
File "", line 88 in _run_code
File "", line 198 in _run_module_as_main
===== Log before crash start =====
UCSF ChimeraX version: 1.10rc202505310246 (2025-05-31)
© 2016-2025 Regents of the University of California. All rights reserved.
How to cite UCSF ChimeraX
> ui tool show AlphaFold
> alphafold match P38398
1 AlphaFold model found using UniProt identifier: P38398 (UniProt P38398)
Sequence Similarity
---
AlphaFold Model| Query Sequence| Identity %| Coverage %
P38398 | P38398 | 100.0 | 100.0
Opened 1 AlphaFold model
> alphafold search P38398> alphafold predict P38398Please cite ColabFold:
> Making protein folding accessible to all. Nature Methods (2022) if you use
> these predictions.
Running AlphaFold prediction
> open pdb:6gvw | Summary of feedback from opening 6gvw fetched from pdb
---
warning | Atom H is not in the residue template for PRO /A:273
6gvw title:
Crystal structure of the BRCA1-A complex [more info...]
Chain information for 6gvw #2
---
Chain | Description | UniProt
A F | BRCA1-A complex subunit Abraxas 1 | ABRX1_MOUSE 1-407
B G | Lys-63-specific deubiquitinase BRCC36 | BRCC3_MOUSE 1-291
C H | BRISC and BRCA1-A complex member 2 | BABA2_MOUSE 1-383
D I | BRISC and BRCA1-A complex member 1 | BABA1_MOUSE 1-333
E J | BRCA1-A complex subunit RAP80 | UIMC1_MOUSE 275-334
Non-standard residues in 6gvw #2
---
ZN — zinc ion
Running AlphaFold prediction
> close #2
> alphafold predict P38398
Running AlphaFold prediction
> close
> open C:/Users/User/Downloads/md_0_1_noPBC.xtc
No atomic models open to read the coordinates into!
> open C:/Users/User/Downloads/6bcx_chainA.pdb
Chain information for 6bcx_chainA.pdb #1
---
Chain | Description
A | No description available
> open C:/Users/User/Downloads/md_0_1.xtc
Specified structure has 15759 atoms whereas the coordinates are for 769324
atoms
> close
> open C:/Users/User/Downloads/md_0_1.gro
===== Log before crash end =====
Log:
UCSF ChimeraX version: 1.10rc202505310246 (2025-05-31)
© 2016-2025 Regents of the University of California. All rights reserved.
How to cite UCSF ChimeraX
> open
> C:\\\Users\\\User\\\AppData\\\Local\\\Microsoft\\\Windows\\\INetCache\\\IE\\\DXNTHAQI\\\1[1].dlg
Unrecognized file suffix '.dlg'
OpenGL version: 3.3.0 NVIDIA 560.94
OpenGL renderer: NVIDIA GeForce RTX 4070 Ti SUPER/PCIe/SSE2
OpenGL vendor: NVIDIA Corporation
Python: 3.11.4
Locale: en_GB.cp1252
Qt version: PyQt6 6.8.1, Qt 6.8.2
Qt runtime version: 6.8.2
Qt platform: windows
Manufacturer: Gigabyte Technology Co., Ltd.
Model: Z790 UD AX
OS: Microsoft Windows 11 Education (Build 26100)
Memory: 68,470,222,848
MaxProcessMemory: 137,438,953,344
CPU: 32 Intel(R) Core(TM) i9-14900K
OSLanguage: en-US
Installed Packages:
alabaster: 1.0.0
appdirs: 1.4.4
asttokens: 3.0.0
auditwheel: 6.4.0
babel: 2.17.0
beautifulsoup4: 4.13.3
blockdiag: 3.0.0
blosc2: 3.3.4
build: 1.2.2.post1
certifi: 2025.4.26
cftime: 1.6.4.post1
charset-normalizer: 3.4.2
ChimeraX-AddCharge: 1.5.18
ChimeraX-AddH: 2.2.7
ChimeraX-AlignmentAlgorithms: 2.0.2
ChimeraX-AlignmentHdrs: 3.6.1
ChimeraX-AlignmentMatrices: 2.1
ChimeraX-Alignments: 2.20.1
ChimeraX-AlphaFold: 1.0.1
ChimeraX-AltlocExplorer: 1.1.2
ChimeraX-AmberInfo: 1.0
ChimeraX-Aniso: 1.1.4
ChimeraX-Arrays: 1.1
ChimeraX-Atomic: 1.60.7
ChimeraX-AtomicLibrary: 14.1.18
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: 1.0
ChimeraX-BondRot: 2.0.4
ChimeraX-BugReporter: 1.0.2
ChimeraX-BuildStructure: 2.13.1
ChimeraX-Bumps: 1.0
ChimeraX-BundleBuilder: 1.5.1
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
ChimeraX-ConnectStructure: 2.0.1
ChimeraX-Contacts: 1.0.1
ChimeraX-Core: 1.10rc202505310246
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: 2.5.1
ChimeraX-Help: 1.3
ChimeraX-HKCage: 1.3
ChimeraX-IHM: 1.1
ChimeraX-ImageFormats: 1.2
ChimeraX-IMOD: 1.0
ChimeraX-IO: 1.0.3
ChimeraX-ItemsInspection: 1.0.1
ChimeraX-IUPAC: 1.0
ChimeraX-KVFinder: 1.6.2
ChimeraX-Label: 1.1.14
ChimeraX-ListInfo: 1.2.2
ChimeraX-Log: 1.2
ChimeraX-LookingGlass: 1.1
ChimeraX-Maestro: 1.9.1
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-MatchMaker: 2.2.1
ChimeraX-MCopy: 1.0
ChimeraX-MDcrds: 2.10.1
ChimeraX-MedicalToolbar: 1.1
ChimeraX-Meeting: 1.0.1
ChimeraX-MLP: 1.1.1
ChimeraX-mmCIF: 2.16
ChimeraX-MMTF: 2.2
ChimeraX-ModelArchive: 1.0
ChimeraX-Modeller: 1.5.19
ChimeraX-ModelPanel: 1.5.1
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
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: 1.14.1
ChimeraX-OrthoPick: 1.0.1
ChimeraX-PDB: 2.7.10
ChimeraX-PDBBio: 1.0.1
ChimeraX-PDBLibrary: 1.0.4
ChimeraX-PDBMatrices: 1.0
ChimeraX-PickBlobs: 1.0.1
ChimeraX-Positions: 1.0
ChimeraX-PresetMgr: 1.1.3
ChimeraX-ProfileGrids: 1.1.2
ChimeraX-PubChem: 2.2
ChimeraX-ReadPbonds: 1.0.1
ChimeraX-Registration: 1.1.2
ChimeraX-RemoteControl: 1.0
ChimeraX-RenderByAttr: 1.6.3
ChimeraX-RenumberResidues: 1.1
ChimeraX-ResidueFit: 1.0.1
ChimeraX-RestServer: 1.3.1
ChimeraX-RNALayout: 1.0
ChimeraX-RotamerLibMgr: 4.0
ChimeraX-RotamerLibsDunbrack: 2.0
ChimeraX-RotamerLibsDynameomics: 2.0
ChimeraX-RotamerLibsRichardson: 2.0
ChimeraX-SaveCommand: 1.5.1
ChimeraX-SchemeMgr: 1.0
ChimeraX-SDF: 2.0.3
ChimeraX-Segger: 1.0
ChimeraX-Segment: 1.0.1
ChimeraX-Segmentations: 3.5.7
ChimeraX-SelInspector: 1.0
ChimeraX-SeqView: 2.17.1
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: 1.45.1
ChimeraX-Umap: 1.0
ChimeraX-uniprot: 2.3.1
ChimeraX-UnitCell: 1.0.1
ChimeraX-ViewDockX: 1.4.4
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
colorama: 0.4.6
comm: 0.2.2
comtypes: 1.4.10
contourpy: 1.3.2
coverage: 7.8.2
cxservices: 1.2.3
cycler: 0.12.1
Cython: 3.0.12
debugpy: 1.8.14
decorator: 5.2.1
docutils: 0.21.2
executing: 2.2.0
filelock: 3.18.0
fonttools: 4.58.1
funcparserlib: 2.0.0a0
glfw: 2.9.0
grako: 3.16.5
h5py: 3.13.0
html2text: 2024.2.26
idna: 3.10
ihm: 2.2
imagecodecs: 2024.6.1
imagesize: 1.4.1
iniconfig: 2.1.0
ipykernel: 6.29.5
ipython: 8.26.0
ipywidgets: 8.1.7
jedi: 0.19.1
Jinja2: 3.1.6
jupyter_client: 8.6.3
jupyter_core: 5.8.1
jupyterlab_widgets: 3.0.15
kiwisolver: 1.4.8
line_profiler: 4.2.0
lxml: 5.3.1
lz4: 4.4.4
MarkupSafe: 3.0.2
matplotlib: 3.10.1
matplotlib-inline: 0.1.7
msgpack: 1.1.0
ndindex: 1.10.0
nest-asyncio: 1.6.0
netCDF4: 1.6.5
networkx: 3.3
nibabel: 5.2.0
nptyping: 2.5.0
numexpr: 2.10.2
numpy: 1.26.4
OpenMM: 8.2.0
openvr: 1.26.701
packaging: 24.2
ParmEd: 4.2.2
parso: 0.8.4
pep517: 0.13.1
pickleshare: 0.7.5
pillow: 10.4.0
pip: 25.0.1
pkginfo: 1.11.1
platformdirs: 4.3.8
pluggy: 1.6.0
prompt_toolkit: 3.0.51
psutil: 7.0.0
pure_eval: 0.2.3
py-cpuinfo: 9.0.0
pycollada: 0.8
pydicom: 2.4.4
pyelftools: 0.32
Pygments: 2.18.0
pynmrstar: 3.3.5
pynrrd: 1.0.0
PyOpenGL: 3.1.9
PyOpenGL-accelerate: 3.1.9
pyopenxr: 1.1.4501
pyparsing: 3.2.3
pyproject_hooks: 1.2.0
PyQt6-commercial: 6.8.1
PyQt6-Qt6: 6.8.2
PyQt6-WebEngine-commercial: 6.8.0
PyQt6-WebEngine-Qt6: 6.8.2
PyQt6_sip: 13.10.0
pytest: 8.3.5
pytest-cov: 6.1.1
python-dateutil: 2.9.0.post0
pytz: 2025.2
pywin32: 310
pyzmq: 26.4.0
qtconsole: 5.5.2
QtPy: 2.4.3
qtshim: 1.1
RandomWords: 0.4.0
requests: 2.32.3
roman-numerals-py: 3.1.0
scipy: 1.14.0
setuptools: 78.1.0
sfftk-rw: 0.8.1
six: 1.16.0
snowballstemmer: 3.0.1
sortedcontainers: 2.4.0
soupsieve: 2.7
Sphinx: 8.2.3
sphinx-autodoc-typehints: 3.1.0
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
stack-data: 0.6.3
superqt: 0.7.1
tables: 3.10.2
tcia_utils: 1.5.1
tifffile: 2025.3.13
tinyarray: 1.2.4
tornado: 6.5.1
traitlets: 5.14.3
typing_extensions: 4.13.2
tzdata: 2025.2
urllib3: 2.4.0
wcwidth: 0.2.13
webcolors: 24.11.1
wheel: 0.45.1
wheel-filename: 1.4.2
widgetsnbextension: 4.0.14
WMI: 1.5.1
Change History (2)
comment:1 by , 4 months ago
| Component: | Unassigned → MD/Ensemble Analysis |
|---|---|
| Owner: | set to |
| Platform: | → all |
| Project: | → ChimeraX |
| Status: | new → accepted |
| Summary: | ChimeraX bug report submission → Crash opening .gro file |
comment:2 by , 4 months ago
| Resolution: | → can't reproduce |
|---|---|
| Status: | accepted → closed |
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