![[ChimeraX Issue Tracking System]](/trac/ChimeraX/chrome/site/ChimeraX-icon.svg){kind=icon}
Opened 4 hours ago
#19878 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: 1.12.dev202602210126 (2026-02-21 01:26:54 UTC)
Description
Replace this text with list of actions that caused this problem to occur
Log:
UCSF ChimeraX version: 1.12.dev202602210126 (2026-02-21)
© 2016-2026 Regents of the University of California. All rights reserved.
How to cite UCSF ChimeraX
> ui tool show Boltz
> boltz install C:\Users\aigle/boltz22
Successfully created Boltz Python virtual environment C:\Users\aigle/boltz22.
Now installing Boltz and required packages from PyPi. This may take tens of of
minutes since Boltz uses many other packages totaling about 1 Gbyte of disk
space including torch, scipy, rdkit, llvmlite, sympy, pandas, numpy, wandb,
numba...
C:\Users\aigle/boltz22\Scripts\python.exe -m pip install
https://github.com/RBVI/boltz/archive/chimerax_boltz22.zip
Collecting https://github.com/RBVI/boltz/archive/chimerax_boltz22.zip
Using cached https://github.com/RBVI/boltz/archive/chimerax_boltz22.zip
Installing build dependencies: started
Installing build dependencies: finished with status 'done'
Getting requirements to build wheel: started
Getting requirements to build wheel: finished with status 'done'
Preparing metadata (pyproject.toml): started
Preparing metadata (pyproject.toml): finished with status 'done'
Collecting torch==2.7.1 (from boltz==2.2.0)
Using cached torch-2.7.1-cp311-cp311-win_amd64.whl.metadata (28 kB)
Requirement already satisfied: numpy<2.0,>=1.26 in c:\program files\chimerax
1.12.dev202602210126\bin\lib\site-packages (from boltz==2.2.0) (1.26.4)
Collecting hydra-core==1.3.2 (from boltz==2.2.0)
Using cached hydra_core-1.3.2-py3-none-any.whl.metadata (5.5 kB)
Collecting pytorch-lightning==2.5.0 (from boltz==2.2.0)
Using cached pytorch_lightning-2.5.0-py3-none-any.whl.metadata (21 kB)
Collecting rdkit>=2024.3.2 (from boltz==2.2.0)
Using cached rdkit-2025.9.5-cp311-cp311-win_amd64.whl.metadata (3.9 kB)
Collecting dm-tree==0.1.8 (from boltz==2.2.0)
Using cached dm_tree-0.1.8-cp311-cp311-win_amd64.whl.metadata (2.0 kB)
Collecting requests==2.32.3 (from boltz==2.2.0)
Using cached requests-2.32.3-py3-none-any.whl.metadata (4.6 kB)
Collecting pandas>=2.2.2 (from boltz==2.2.0)
Using cached pandas-3.0.1-cp311-cp311-win_amd64.whl.metadata (19 kB)
Collecting types-requests (from boltz==2.2.0)
Using cached types_requests-2.32.4.20260107-py3-none-any.whl.metadata (2.0 kB)
Collecting einops==0.8.0 (from boltz==2.2.0)
Using cached einops-0.8.0-py3-none-any.whl.metadata (12 kB)
Collecting einx==0.3.0 (from boltz==2.2.0)
Using cached einx-0.3.0-py3-none-any.whl.metadata (6.9 kB)
Collecting fairscale==0.4.13 (from boltz==2.2.0)
Using cached fairscale-0.4.13-py3-none-any.whl
Collecting mashumaro==3.14 (from boltz==2.2.0)
Using cached mashumaro-3.14-py3-none-any.whl.metadata (114 kB)
Collecting modelcif==1.2 (from boltz==2.2.0)
Using cached modelcif-1.2-py3-none-any.whl
Collecting wandb==0.18.7 (from boltz==2.2.0)
Using cached wandb-0.18.7-py3-none-win_amd64.whl.metadata (9.7 kB)
Collecting click==8.1.7 (from boltz==2.2.0)
Using cached click-8.1.7-py3-none-any.whl.metadata (3.0 kB)
Collecting pyyaml==6.0.2 (from boltz==2.2.0)
Using cached PyYAML-6.0.2-cp311-cp311-win_amd64.whl.metadata (2.1 kB)
Collecting biopython==1.84 (from boltz==2.2.0)
Using cached biopython-1.84-cp311-cp311-win_amd64.whl.metadata (13 kB)
Collecting scipy==1.13.1 (from boltz==2.2.0)
Using cached scipy-1.13.1-cp311-cp311-win_amd64.whl.metadata (60 kB)
Collecting numba==0.61.0 (from boltz==2.2.0)
Using cached numba-0.61.0-cp311-cp311-win_amd64.whl.metadata (2.8 kB)
Collecting gemmi==0.6.5 (from boltz==2.2.0)
Using cached gemmi-0.6.5-cp311-cp311-win_amd64.whl.metadata (2.3 kB)
Collecting scikit-learn==1.6.1 (from boltz==2.2.0)
Using cached scikit_learn-1.6.1-cp311-cp311-win_amd64.whl.metadata (15 kB)
Collecting chembl_structure_pipeline==1.2.2 (from boltz==2.2.0)
Using cached chembl_structure_pipeline-1.2.2-py3-none-any.whl.metadata (3.9
kB)
Collecting cuequivariance_torch>=0.5.0 (from boltz==2.2.0)
Using cached cuequivariance_torch-0.9.0-py3-none-any.whl.metadata (15 kB)
Requirement already satisfied: setuptools>=46.4.0 in
c:\users\aigle\boltz22\lib\site-packages (from
chembl_structure_pipeline==1.2.2->boltz==2.2.0) (65.5.0)
Requirement already satisfied: colorama in c:\program files\chimerax
1.12.dev202602210126\bin\lib\site-packages (from click==8.1.7->boltz==2.2.0)
(0.4.6)
Collecting sympy (from einx==0.3.0->boltz==2.2.0)
Using cached sympy-1.14.0-py3-none-any.whl.metadata (12 kB)
Collecting frozendict (from einx==0.3.0->boltz==2.2.0)
Using cached frozendict-2.4.7-py3-none-any.whl.metadata (23 kB)
Collecting omegaconf<2.4,>=2.2 (from hydra-core==1.3.2->boltz==2.2.0)
Using cached omegaconf-2.3.0-py3-none-any.whl.metadata (3.9 kB)
Collecting antlr4-python3-runtime==4.9.* (from hydra-
core==1.3.2->boltz==2.2.0)
Using cached antlr4_python3_runtime-4.9.3-py3-none-any.whl
Requirement already satisfied: packaging in c:\program files\chimerax
1.12.dev202602210126\bin\lib\site-packages (from hydra-
core==1.3.2->boltz==2.2.0) (25.0)
Requirement already satisfied: typing-extensions>=4.1.0 in c:\program
files\chimerax 1.12.dev202602210126\bin\lib\site-packages (from
mashumaro==3.14->boltz==2.2.0) (4.15.0)
Requirement already satisfied: ihm>=1.7 in c:\program files\chimerax
1.12.dev202602210126\bin\lib\site-packages (from modelcif==1.2->boltz==2.2.0)
(2.2)
Collecting llvmlite<0.45,>=0.44.0dev0 (from numba==0.61.0->boltz==2.2.0)
Using cached llvmlite-0.44.0-cp311-cp311-win_amd64.whl.metadata (5.0 kB)
Collecting tqdm>=4.57.0 (from pytorch-lightning==2.5.0->boltz==2.2.0)
Using cached tqdm-4.67.3-py3-none-any.whl.metadata (57 kB)
Collecting fsspec>=2022.5.0 (from fsspec[http]>=2022.5.0->pytorch-
lightning==2.5.0->boltz==2.2.0)
Using cached fsspec-2026.2.0-py3-none-any.whl.metadata (10 kB)
Collecting torchmetrics>=0.7.0 (from pytorch-lightning==2.5.0->boltz==2.2.0)
Using cached torchmetrics-1.8.2-py3-none-any.whl.metadata (22 kB)
Collecting lightning-utilities>=0.10.0 (from pytorch-
lightning==2.5.0->boltz==2.2.0)
Using cached lightning_utilities-0.15.3-py3-none-any.whl.metadata (5.5 kB)
Requirement already satisfied: charset-normalizer<4,>=2 in c:\program
files\chimerax 1.12.dev202602210126\bin\lib\site-packages (from
requests==2.32.3->boltz==2.2.0) (3.4.4)
Requirement already satisfied: idna<4,>=2.5 in c:\program files\chimerax
1.12.dev202602210126\bin\lib\site-packages (from
requests==2.32.3->boltz==2.2.0) (3.11)
Requirement already satisfied: urllib3<3,>=1.21.1 in c:\program files\chimerax
1.12.dev202602210126\bin\lib\site-packages (from
requests==2.32.3->boltz==2.2.0) (2.6.3)
Requirement already satisfied: certifi>=2017.4.17 in c:\program files\chimerax
1.12.dev202602210126\bin\lib\site-packages (from
requests==2.32.3->boltz==2.2.0) (2026.1.4)
Collecting joblib>=1.2.0 (from scikit-learn==1.6.1->boltz==2.2.0)
Using cached joblib-1.5.3-py3-none-any.whl.metadata (5.5 kB)
Collecting threadpoolctl>=3.1.0 (from scikit-learn==1.6.1->boltz==2.2.0)
Using cached threadpoolctl-3.6.0-py3-none-any.whl.metadata (13 kB)
Requirement already satisfied: filelock in c:\program files\chimerax
1.12.dev202602210126\bin\lib\site-packages (from torch==2.7.1->boltz==2.2.0)
(3.19.1)
Requirement already satisfied: networkx in c:\program files\chimerax
1.12.dev202602210126\bin\lib\site-packages (from torch==2.7.1->boltz==2.2.0)
(3.3)
Requirement already satisfied: jinja2 in c:\program files\chimerax
1.12.dev202602210126\bin\lib\site-packages (from torch==2.7.1->boltz==2.2.0)
(3.1.6)
Collecting docker-pycreds>=0.4.0 (from wandb==0.18.7->boltz==2.2.0)
Using cached docker_pycreds-0.4.0-py2.py3-none-any.whl.metadata (1.8 kB)
Collecting gitpython!=3.1.29,>=1.0.0 (from wandb==0.18.7->boltz==2.2.0)
Using cached gitpython-3.1.46-py3-none-any.whl.metadata (13 kB)
Requirement already satisfied: platformdirs in c:\program files\chimerax
1.12.dev202602210126\bin\lib\site-packages (from wandb==0.18.7->boltz==2.2.0)
(4.9.2)
Collecting protobuf!=4.21.0,!=5.28.0,<6,>=3.19.0 (from
wandb==0.18.7->boltz==2.2.0)
Using cached protobuf-5.29.6-cp310-abi3-win_amd64.whl.metadata (592 bytes)
Requirement already satisfied: psutil>=5.0.0 in c:\program files\chimerax
1.12.dev202602210126\bin\lib\site-packages (from wandb==0.18.7->boltz==2.2.0)
(7.0.0)
Collecting sentry-sdk>=2.0.0 (from wandb==0.18.7->boltz==2.2.0)
Using cached sentry_sdk-2.53.0-py2.py3-none-any.whl.metadata (10 kB)
Collecting setproctitle (from wandb==0.18.7->boltz==2.2.0)
Using cached setproctitle-1.3.7-cp311-cp311-win_amd64.whl.metadata (11 kB)
Collecting cuequivariance (from cuequivariance_torch>=0.5.0->boltz==2.2.0)
Using cached cuequivariance-0.9.0-py3-none-any.whl.metadata (15 kB)
Requirement already satisfied: python-dateutil>=2.8.2 in c:\program
files\chimerax 1.12.dev202602210126\bin\lib\site-packages (from
pandas>=2.2.2->boltz==2.2.0) (2.9.0.post0)
Requirement already satisfied: tzdata in c:\program files\chimerax
1.12.dev202602210126\bin\lib\site-packages (from pandas>=2.2.2->boltz==2.2.0)
(2025.3)
Requirement already satisfied: Pillow in c:\program files\chimerax
1.12.dev202602210126\bin\lib\site-packages (from
rdkit>=2024.3.2->boltz==2.2.0) (11.3.0)
Requirement already satisfied: six>=1.4.0 in c:\program files\chimerax
1.12.dev202602210126\bin\lib\site-packages (from docker-
pycreds>=0.4.0->wandb==0.18.7->boltz==2.2.0) (1.17.0)
Requirement already satisfied: aiohttp!=4.0.0a0,!=4.0.0a1 in c:\program
files\chimerax 1.12.dev202602210126\bin\lib\site-packages (from
fsspec[http]>=2022.5.0->pytorch-lightning==2.5.0->boltz==2.2.0) (3.13.1)
Collecting gitdb<5,>=4.0.1 (from
gitpython!=3.1.29,>=1.0.0->wandb==0.18.7->boltz==2.2.0)
Using cached gitdb-4.0.12-py3-none-any.whl.metadata (1.2 kB)
Requirement already satisfied: msgpack in c:\program files\chimerax
1.12.dev202602210126\bin\lib\site-packages (from
ihm>=1.7->modelcif==1.2->boltz==2.2.0) (1.1.1)
Collecting mpmath<1.4,>=1.1.0 (from sympy->einx==0.3.0->boltz==2.2.0)
Using cached mpmath-1.3.0-py3-none-any.whl.metadata (8.6 kB)
Collecting opt-einsum (from
cuequivariance->cuequivariance_torch>=0.5.0->boltz==2.2.0)
Using cached opt_einsum-3.4.0-py3-none-any.whl.metadata (6.3 kB)
Requirement already satisfied: MarkupSafe>=2.0 in c:\program files\chimerax
1.12.dev202602210126\bin\lib\site-packages (from
jinja2->torch==2.7.1->boltz==2.2.0) (3.0.3)
Requirement already satisfied: aiohappyeyeballs>=2.5.0 in c:\program
files\chimerax 1.12.dev202602210126\bin\lib\site-packages (from
aiohttp!=4.0.0a0,!=4.0.0a1->fsspec[http]>=2022.5.0->pytorch-
lightning==2.5.0->boltz==2.2.0) (2.6.1)
Requirement already satisfied: aiosignal>=1.4.0 in c:\program files\chimerax
1.12.dev202602210126\bin\lib\site-packages (from
aiohttp!=4.0.0a0,!=4.0.0a1->fsspec[http]>=2022.5.0->pytorch-
lightning==2.5.0->boltz==2.2.0) (1.4.0)
Requirement already satisfied: attrs>=17.3.0 in c:\program files\chimerax
1.12.dev202602210126\bin\lib\site-packages (from
aiohttp!=4.0.0a0,!=4.0.0a1->fsspec[http]>=2022.5.0->pytorch-
lightning==2.5.0->boltz==2.2.0) (25.4.0)
Requirement already satisfied: frozenlist>=1.1.1 in c:\program files\chimerax
1.12.dev202602210126\bin\lib\site-packages (from
aiohttp!=4.0.0a0,!=4.0.0a1->fsspec[http]>=2022.5.0->pytorch-
lightning==2.5.0->boltz==2.2.0) (1.8.0)
Requirement already satisfied: multidict<7.0,>=4.5 in c:\program
files\chimerax 1.12.dev202602210126\bin\lib\site-packages (from
aiohttp!=4.0.0a0,!=4.0.0a1->fsspec[http]>=2022.5.0->pytorch-
lightning==2.5.0->boltz==2.2.0) (6.7.1)
Requirement already satisfied: propcache>=0.2.0 in c:\program files\chimerax
1.12.dev202602210126\bin\lib\site-packages (from
aiohttp!=4.0.0a0,!=4.0.0a1->fsspec[http]>=2022.5.0->pytorch-
lightning==2.5.0->boltz==2.2.0) (0.4.1)
Requirement already satisfied: yarl<2.0,>=1.17.0 in c:\program files\chimerax
1.12.dev202602210126\bin\lib\site-packages (from
aiohttp!=4.0.0a0,!=4.0.0a1->fsspec[http]>=2022.5.0->pytorch-
lightning==2.5.0->boltz==2.2.0) (1.22.0)
Collecting smmap<6,>=3.0.1 (from
gitdb<5,>=4.0.1->gitpython!=3.1.29,>=1.0.0->wandb==0.18.7->boltz==2.2.0)
Using cached smmap-5.0.2-py3-none-any.whl.metadata (4.3 kB)
Using cached biopython-1.84-cp311-cp311-win_amd64.whl (2.8 MB)
Using cached chembl_structure_pipeline-1.2.2-py3-none-any.whl (17 kB)
Using cached click-8.1.7-py3-none-any.whl (97 kB)
Using cached dm_tree-0.1.8-cp311-cp311-win_amd64.whl (101 kB)
Using cached einops-0.8.0-py3-none-any.whl (43 kB)
Using cached einx-0.3.0-py3-none-any.whl (102 kB)
Using cached gemmi-0.6.5-cp311-cp311-win_amd64.whl (2.3 MB)
Using cached hydra_core-1.3.2-py3-none-any.whl (154 kB)
Using cached mashumaro-3.14-py3-none-any.whl (92 kB)
Using cached numba-0.61.0-cp311-cp311-win_amd64.whl (2.8 MB)
Using cached pytorch_lightning-2.5.0-py3-none-any.whl (819 kB)
Using cached PyYAML-6.0.2-cp311-cp311-win_amd64.whl (161 kB)
Using cached requests-2.32.3-py3-none-any.whl (64 kB)
Using cached scikit_learn-1.6.1-cp311-cp311-win_amd64.whl (11.1 MB)
Using cached scipy-1.13.1-cp311-cp311-win_amd64.whl (46.2 MB)
Using cached torch-2.7.1-cp311-cp311-win_amd64.whl (216.1 MB)
Using cached wandb-0.18.7-py3-none-win_amd64.whl (15.5 MB)
Using cached cuequivariance_torch-0.9.0-py3-none-any.whl (205 kB)
Using cached pandas-3.0.1-cp311-cp311-win_amd64.whl (9.9 MB)
Using cached rdkit-2025.9.5-cp311-cp311-win_amd64.whl (24.3 MB)
Using cached types_requests-2.32.4.20260107-py3-none-any.whl (20 kB)
Using cached docker_pycreds-0.4.0-py2.py3-none-any.whl (9.0 kB)
Using cached fsspec-2026.2.0-py3-none-any.whl (202 kB)
Using cached gitpython-3.1.46-py3-none-any.whl (208 kB)
Using cached joblib-1.5.3-py3-none-any.whl (309 kB)
Using cached lightning_utilities-0.15.3-py3-none-any.whl (31 kB)
Using cached llvmlite-0.44.0-cp311-cp311-win_amd64.whl (30.3 MB)
Using cached omegaconf-2.3.0-py3-none-any.whl (79 kB)
Using cached protobuf-5.29.6-cp310-abi3-win_amd64.whl (435 kB)
Using cached sentry_sdk-2.53.0-py2.py3-none-any.whl (437 kB)
Using cached sympy-1.14.0-py3-none-any.whl (6.3 MB)
Using cached threadpoolctl-3.6.0-py3-none-any.whl (18 kB)
Using cached torchmetrics-1.8.2-py3-none-any.whl (983 kB)
Using cached tqdm-4.67.3-py3-none-any.whl (78 kB)
Using cached cuequivariance-0.9.0-py3-none-any.whl (269 kB)
Using cached frozendict-2.4.7-py3-none-any.whl (16 kB)
Using cached setproctitle-1.3.7-cp311-cp311-win_amd64.whl (13 kB)
Using cached gitdb-4.0.12-py3-none-any.whl (62 kB)
Using cached mpmath-1.3.0-py3-none-any.whl (536 kB)
Using cached opt_einsum-3.4.0-py3-none-any.whl (71 kB)
Using cached smmap-5.0.2-py3-none-any.whl (24 kB)
Building wheels for collected packages: boltz
Building wheel for boltz (pyproject.toml): started
Building wheel for boltz (pyproject.toml): finished with status 'done'
Created wheel for boltz: filename=boltz-2.2.0-py3-none-any.whl size=269018
sha256=c2f2fcc262e8abbf9573284d1dc56d8d85b54a8982872ac59a3624ed06874ea9
Stored in directory: C:\Users\aigle\AppData\Local\Temp\pip-ephem-wheel-
cache-1e2v1rxp\wheels\26\ba\5c\a8ae06e77eb74d03f129cbbe5d93bfea3b1259fabe4f838af4
Successfully built boltz
Installing collected packages: mpmath, dm-tree, antlr4-python3-runtime, types-
requests, tqdm, threadpoolctl, sympy, smmap, setproctitle, sentry-sdk, scipy,
requests, rdkit, pyyaml, protobuf, opt-einsum, mashumaro, llvmlite, lightning-
utilities, joblib, gemmi, fsspec, frozendict, einops, docker-pycreds, click,
biopython, torch, scikit-learn, pandas, omegaconf, numba, modelcif, gitdb,
einx, cuequivariance, chembl_structure_pipeline, torchmetrics, hydra-core,
gitpython, fairscale, cuequivariance_torch, wandb, pytorch-lightning, boltz
Attempting uninstall: scipy
Found existing installation: scipy 1.14.0
Not uninstalling scipy at c:\program files\chimerax
1.12.dev202602210126\bin\lib\site-packages, outside environment
C:\Users\aigle\boltz22
Can't uninstall 'scipy'. No files were found to uninstall.
Attempting uninstall: requests
Found existing installation: requests 2.32.5
Not uninstalling requests at c:\program files\chimerax
1.12.dev202602210126\bin\lib\site-packages, outside environment
C:\Users\aigle\boltz22
Can't uninstall 'requests'. No files were found to uninstall.
Attempting uninstall: click
Found existing installation: click 8.3.1
Not uninstalling click at c:\program files\chimerax
1.12.dev202602210126\bin\lib\site-packages, outside environment
C:\Users\aigle\boltz22
Can't uninstall 'click'. No files were found to uninstall.
Successfully installed antlr4-python3-runtime-4.9.3 biopython-1.84 boltz-2.2.0
chembl_structure_pipeline-1.2.2 click-8.1.7 cuequivariance-0.9.0
cuequivariance_torch-0.9.0 dm-tree-0.1.8 docker-pycreds-0.4.0 einops-0.8.0
einx-0.3.0 fairscale-0.4.13 frozendict-2.4.7 fsspec-2026.2.0 gemmi-0.6.5
gitdb-4.0.12 gitpython-3.1.46 hydra-core-1.3.2 joblib-1.5.3 lightning-
utilities-0.15.3 llvmlite-0.44.0 mashumaro-3.14 modelcif-1.2 mpmath-1.3.0
numba-0.61.0 omegaconf-2.3.0 opt-einsum-3.4.0 pandas-3.0.1 protobuf-5.29.6
pytorch-lightning-2.5.0 pyyaml-6.0.2 rdkit-2025.9.5 requests-2.32.3 scikit-
learn-1.6.1 scipy-1.13.1 sentry-sdk-2.53.0 setproctitle-1.3.7 smmap-5.0.2
sympy-1.14.0 threadpoolctl-3.6.0 torch-2.7.1 torchmetrics-1.8.2 tqdm-4.67.3
types-requests-2.32.4.20260107 wandb-0.18.7
[notice] A new release of pip is available: 24.0 -> 26.0.1
[notice] To update, run: C:\Users\aigle\boltz22\Scripts\python.exe -m pip
install --upgrade pip
Downloading Boltz model parameters (4 GB) and chemical component database (1.8
GB) to ~/.boltz
C:\Users\aigle/boltz22\Scripts\python.exe C:\Program Files\ChimeraX
1.12.dev202602210126\bin\Lib\site-
packages\chimerax\boltz\download_weights_and_ccd.py
Downloading the CCD data to C:\Users\aigle\\.boltz\mols.tar. This may take a
bit of time. You may change the cache directory with the --cache flag.
Extracting the CCD data to C:\Users\aigle\\.boltz\mols. This may take a bit of
time. You may change the cache directory with the --cache flag.
Downloading the Boltz-2 weights to C:\Users\aigle\\.boltz\boltz2_conf.ckpt.
You may change the cache directory with the --cache flag.
Downloading the Boltz-2 affinity weights to
C:\Users\aigle\\.boltz\boltz2_aff.ckpt. You may change the cache directory
with the --cache flag.
Making CCD atom counts table for 45227 in C:\Users\aigle/.boltz/mols
Boltz model parameters and CCD database are installed in ~/.boltz
Successfully installed Boltz program and neural net weights.
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.12.dev202602210126\bin\Lib\site-
packages\chimerax\boltz\boltz_gui.py", line 876, in _choose_results_directory
path, ftype = QFileDialog.getSaveFileName(parent,
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
AttributeError: PySide6.QtWidgets.QFileDialog.getSaveFileName(): unsupported
keyword 'directory'
AttributeError: PySide6.QtWidgets.QFileDialog.getSaveFileName(): unsupported
keyword 'directory'
File "C:\Program Files\ChimeraX 1.12.dev202602210126\bin\Lib\site-
packages\chimerax\boltz\boltz_gui.py", line 876, in _choose_results_directory
path, ftype = QFileDialog.getSaveFileName(parent,
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
See log for complete Python traceback.
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.12.dev202602210126\bin\Lib\site-
packages\chimerax\boltz\boltz_gui.py", line 876, in _choose_results_directory
path, ftype = QFileDialog.getSaveFileName(parent,
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
AttributeError: PySide6.QtWidgets.QFileDialog.getSaveFileName(): unsupported
keyword 'directory'
AttributeError: PySide6.QtWidgets.QFileDialog.getSaveFileName(): unsupported
keyword 'directory'
File "C:\Program Files\ChimeraX 1.12.dev202602210126\bin\Lib\site-
packages\chimerax\boltz\boltz_gui.py", line 876, in _choose_results_directory
path, ftype = QFileDialog.getSaveFileName(parent,
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
See log for complete Python traceback.
OpenGL version: 3.3.0 Core Profile Context 23.19.14.08.240820
OpenGL renderer: AMD Radeon(TM) Graphics
OpenGL vendor: ATI Technologies Inc.
Python: 3.11.9
Locale: es_ES.cp1252
Qt version: PySide6 6.10.2, Qt 6.10.2
Qt runtime version: 6.10.2
Qt platform: windows
Manufacturer: HP
Model: HP Laptop 15s-eq2xxx
OS: Microsoft Windows 11 Home (Build 26200)
Memory: 12,160,847,872
MaxProcessMemory: 137,438,953,344
CPU: 16 AMD Ryzen 7 5700U with Radeon Graphics
OSLanguage: es-ES
Installed Packages:
accessible-pygments: 0.0.5
aiohappyeyeballs: 2.6.1
aiohttp: 3.13.1
aiosignal: 1.4.0
alabaster: 1.0.0
annotated-types: 0.7.0
anyio: 4.12.1
appdirs: 1.4.4
asttokens: 3.0.1
attrs: 25.4.0
babel: 2.18.0
beautifulsoup4: 4.13.5
blockdiag: 3.0.0
blosc2: 4.0.0
build: 1.3.0
certifi: 2026.1.4
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: 3.6.2
ChimeraX-AlignmentMatrices: 2.1
ChimeraX-Alignments: 3.2
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: 1.64
ChimeraX-AtomicLibrary: 14.2.3
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: 1.4.1
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: 1.3.1
ChimeraX-ConnectStructure: 2.0.1
ChimeraX-Contacts: 1.0.1
ChimeraX-Core: 1.12.dev202602210126
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: 1.2
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: 1.8.2
ChimeraX-Label: 1.3
ChimeraX-LightingGUI: 1.0
ChimeraX-ListInfo: 1.3.1
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-MatchMaker: 2.2.2
ChimeraX-MCopy: 1.0
ChimeraX-MCPServer: 0.2.0
ChimeraX-MDcrds: 2.17.2
ChimeraX-MedicalToolbar: 1.1
ChimeraX-Meeting: 1.0.1
ChimeraX-Minimize: 1.3.5
ChimeraX-MLP: 1.1.1
ChimeraX-mmCIF: 2.16
ChimeraX-MMTF: 2.2
ChimeraX-ModelArchive: 1.0
ChimeraX-Modeller: 1.5.23
ChimeraX-ModelPanel: 1.6.1
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: 1.0.1
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-OpenFold: 1.0
ChimeraX-OrthoPick: 1.0.1
ChimeraX-PDB: 2.7.12
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: 1.5.1
ChimeraX-PubChem: 2.2
ChimeraX-ReadPbonds: 1.0.1
ChimeraX-Registration: 1.1.2
ChimeraX-RemoteControl: 1.0
ChimeraX-RenderByAttr: 1.8
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: 3.5.12
ChimeraX-SelInspector: 1.0
ChimeraX-SeqView: 2.17.5
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-SNFG: 1.0
ChimeraX-SpaceNavigator: 1.0
ChimeraX-StdCommands: 1.19.3
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: 1.50.3
ChimeraX-Umap: 1.0
ChimeraX-uniprot: 2.3.2
ChimeraX-UnitCell: 1.0.1
ChimeraX-ViewDock: 1.6
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: 7.13.4
cxservices: 1.2.3
cycler: 0.12.1
Cython: 3.1.4
debugpy: 1.8.20
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: 7.1.0
ipython: 9.9.0
ipython_pygments_lexers: 1.1.1
ipywidgets: 8.1.8
jedi: 0.19.2
Jinja2: 3.1.6
jsonschema: 4.26.0
jsonschema-specifications: 2025.9.1
jupyter_client: 8.8.0
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: 6.7.1
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: 8.4.0
OpenMM-CUDA-12: 8.4.0
openvr: 1.26.701
packaging: 25.0
ParmEd: 4.2.2
parso: 0.8.6
pep517: 0.13.1
pickleshare: 0.7.5
pillow: 11.3.0
pip: 25.2
pkginfo: 1.12.1.2
platformdirs: 4.9.2
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: 2.13.1
pydantic_core: 2.41.5
pydata-sphinx-theme: 0.16.1
pydicom: 2.4.4
Pygments: 2.18.0
pynmrstar: 3.5.0
pynrrd: 1.0.0
PyOpenGL: 3.1.10
PyOpenGL-accelerate: 3.1.10
pyopenxr: 1.1.4501
pyparsing: 3.3.2
pyproject_hooks: 1.2.0
PySide6: 6.10.2
PySide6_Addons: 6.10.2
PySide6_Essentials: 6.10.2
pytest: 9.0.2
pytest-cov: 7.0.0
python-dateutil: 2.9.0.post0
python-dotenv: 1.2.1
python-multipart: 0.0.22
pywin32: 311
pyzmq: 27.1.0
qtconsole: 5.7.0
QtPy: 2.4.3
qtshim: 1.2.1
RandomWords: 0.4.0
referencing: 0.37.0
requests: 2.32.5
roman-numerals: 4.1.0
rpds-py: 0.30.0
scipy: 1.14.0
setuptools: 80.9.0
sfftk-rw: 0.8.1
shiboken6: 6.10.2
six: 1.17.0
snowballstemmer: 3.0.1
sortedcontainers: 2.4.0
soupsieve: 2.8.3
Sphinx: 9.0.4
sphinx-autodoc-typehints: 3.6.1
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: 3.2.0
stack-data: 0.6.3
starlette: 0.52.1
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: 2.6.3
uvicorn: 0.41.0
wcwidth: 0.6.0
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
Note:
See TracTickets
for help on using tickets.
