Opened 4 months ago
Closed 4 months ago
#17979 closed defect (nonchimerax)
alphafold contacts: Permission denied
Reported by: | Owned by: | Tom Goddard | |
---|---|---|---|
Priority: | normal | Milestone: | |
Component: | Structure Prediction | Version: | |
Keywords: | Cc: | ||
Blocked By: | Blocking: | ||
Notify when closed: | Platform: | all | |
Project: | ChimeraX |
Description
The following bug report has been submitted: Platform: Windows-10-10.0.22631 ChimeraX Version: 1.9 (2024-12-11 19:11:19 UTC) Description When using "alphafold contacts /B to /C outputFile contact.txt" i receive the following error. Unsure if it is my PC not having permission or something "PermissionError: [Errno 13] Permission denied: 'contact.txt' File "C:\Program Files\ChimeraX 1.9\bin\Lib\site-packages\chimerax\alphafold\contacts.py", line 131, in alphafold_contacts with open(output_file, 'w') as f: ^^^^^^^^^^^^^^^^^^^^^^ See log for complete Python traceback." Log: Startup Messages --- note | available bundle cache has not been initialized yet UCSF ChimeraX version: 1.9 (2024-12-11) © 2016-2024 Regents of the University of California. All rights reserved. How to cite UCSF ChimeraX > open "F:\\\Draper Group Share\\\PERSONAL FOLDERS\\\Barney\\\Projects\\\BGW10 > - MRC RIPR\\\02 Sequences\\\AF predictions > Pv\\\fold_pvpcr_tail_trunc_full_data_0.json" Opening an AlphaFold PAE file requires first opening the predicted atomic model. Did not find an open atomic model from the same directory. If the atomic model is already open choose it using menu Tools / Structure Prediction / AlphaFold Error Plot or use the open command structure option, for example open F:\\\Draper Group Share\\\PERSONAL FOLDERS\\\Barney\\\Projects\\\BGW10 - MRC RIPR\\\02 Sequences\\\AF predictions Pv\\\fold_pvpcr_tail_trunc_full_data_0.json structure #1 If you are trying to open a JSON file that is not AlphaFold PAE data then you need to specify the specific JSON format such as open mole_channels.json format mole > open "F:\Draper Group Share\PERSONAL FOLDERS\Barney\Projects\BGW10 - MRC > RIPR\02 Sequences\AF predictions Pv\fold_pvpcr_tail_trunc_model_0.cif" > format mmcif Chain information for fold_pvpcr_tail_trunc_model_0.cif #1 --- Chain | Description A | . B | . C | . Computing secondary structure > alphafold contacts Missing or invalid "atoms" argument: empty atom specifier > alphafold contacts /B toAtoms /A Structure fold_pvpcr_tail_trunc_model_0.cif #1 does not have PAE data opened > open "F:/Draper Group Share/PERSONAL FOLDERS/Barney/Projects/BGW10 - MRC > RIPR/02 Sequences/AF predictions Pv/fold_pvpcr_tail_trunc_full_data_0.json" Opening an AlphaFold PAE file requires first opening the predicted atomic model. Did not find an open atomic model from the same directory. If the atomic model is already open choose it using menu Tools / Structure Prediction / AlphaFold Error Plot or use the open command structure option, for example open F:/Draper Group Share/PERSONAL FOLDERS/Barney/Projects/BGW10 - MRC RIPR/02 Sequences/AF predictions Pv/fold_pvpcr_tail_trunc_full_data_0.json structure #1 If you are trying to open a JSON file that is not AlphaFold PAE data then you need to specify the specific JSON format such as open mole_channels.json format mole > toolshed show > ui tool show "AlphaFold Error Plot" > alphafold pae #1 file "F:\\\Draper Group Share\\\PERSONAL > FOLDERS\\\Barney\\\Projects\\\BGW10 - MRC RIPR\\\02 Sequences\\\AF > predictions Pv\\\fold_pvpcr_tail_trunc_full_data_0.json" > alphafold contacts /B toAtoms /A Found 7 residue or atom pairs within distance 3 > alphafold contacts /B toAtoms /A outputFile contact_pae.txt Traceback (most recent call last): File "C:\Program Files\ChimeraX 1.9\bin\Lib\site- packages\chimerax\cmd_line\tool.py", line 319, in execute cmd.run(cmd_text) File "C:\Program Files\ChimeraX 1.9\bin\Lib\site- packages\chimerax\core\commands\cli.py", line 3213, in run result = ci.function(session, **kw_args) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "C:\Program Files\ChimeraX 1.9\bin\Lib\site- packages\chimerax\alphafold\contacts.py", line 131, in alphafold_contacts with open(output_file, 'w') as f: ^^^^^^^^^^^^^^^^^^^^^^ PermissionError: [Errno 13] Permission denied: 'contact_pae.txt' PermissionError: [Errno 13] Permission denied: 'contact_pae.txt' File "C:\Program Files\ChimeraX 1.9\bin\Lib\site- packages\chimerax\alphafold\contacts.py", line 131, in alphafold_contacts with open(output_file, 'w') as f: ^^^^^^^^^^^^^^^^^^^^^^ See log for complete Python traceback. > alphafold contacts /B toAtoms /A outputFile contact.txt Traceback (most recent call last): File "C:\Program Files\ChimeraX 1.9\bin\Lib\site- packages\chimerax\cmd_line\tool.py", line 319, in execute cmd.run(cmd_text) File "C:\Program Files\ChimeraX 1.9\bin\Lib\site- packages\chimerax\core\commands\cli.py", line 3213, in run result = ci.function(session, **kw_args) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "C:\Program Files\ChimeraX 1.9\bin\Lib\site- packages\chimerax\alphafold\contacts.py", line 131, in alphafold_contacts with open(output_file, 'w') as f: ^^^^^^^^^^^^^^^^^^^^^^ PermissionError: [Errno 13] Permission denied: 'contact.txt' PermissionError: [Errno 13] Permission denied: 'contact.txt' File "C:\Program Files\ChimeraX 1.9\bin\Lib\site- packages\chimerax\alphafold\contacts.py", line 131, in alphafold_contacts with open(output_file, 'w') as f: ^^^^^^^^^^^^^^^^^^^^^^ See log for complete Python traceback. > interfaces select /A & ::polymer_type>0 contacting /B & ::polymer_type>0 > areaCutoff 0 bothSides true 29 contacting residues > select add #1 8540 atoms, 8700 bonds, 7 pseudobonds, 1090 residues, 2 models selected > select subtract #1 Nothing selected > alphafold contacts /B toAtoms /A outputFile contact.txt Traceback (most recent call last): File "C:\Program Files\ChimeraX 1.9\bin\Lib\site- packages\chimerax\cmd_line\tool.py", line 319, in execute cmd.run(cmd_text) File "C:\Program Files\ChimeraX 1.9\bin\Lib\site- packages\chimerax\core\commands\cli.py", line 3213, in run result = ci.function(session, **kw_args) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "C:\Program Files\ChimeraX 1.9\bin\Lib\site- packages\chimerax\alphafold\contacts.py", line 131, in alphafold_contacts with open(output_file, 'w') as f: ^^^^^^^^^^^^^^^^^^^^^^ PermissionError: [Errno 13] Permission denied: 'contact.txt' PermissionError: [Errno 13] Permission denied: 'contact.txt' File "C:\Program Files\ChimeraX 1.9\bin\Lib\site- packages\chimerax\alphafold\contacts.py", line 131, in alphafold_contacts with open(output_file, 'w') as f: ^^^^^^^^^^^^^^^^^^^^^^ See log for complete Python traceback. > alphafold contacts /B toAtoms /A Found 7 residue or atom pairs within distance 3 > alphafold contacts /B toAtoms /A select Expected a keyword > alphafold contacts /B toAtoms /A selectS Expected a keyword > alphafold contacts /B toAtoms /A Select Expected a keyword > select ((/A & ::polymer_type>0 ) & ((/B & ::polymer_type>0 ) :<3)) | ((/B & ::polymer_type>0 ) & ((/A & ::polymer_type>0 ) :<3)) 93 atoms, 85 bonds, 7 pseudobonds, 11 residues, 2 models selected > select ((/A & ::polymer_type>0 ) & ((/B & ::polymer_type>0 ) :<3)) | ((/B & ::polymer_type>0 ) & ((/A & ::polymer_type>0 ) :<3)) 93 atoms, 85 bonds, 7 pseudobonds, 11 residues, 2 models selected > show sel atoms > alphafold contacts /B toAtoms /A outputFile Missing "outputFile" keyword's argument > alphafold contacts /B toAtoms /A outputFile Missing "outputFile" keyword's argument > alphafold contacts /B toAtoms /A outputFile page Traceback (most recent call last): File "C:\Program Files\ChimeraX 1.9\bin\Lib\site- packages\chimerax\cmd_line\tool.py", line 319, in execute cmd.run(cmd_text) File "C:\Program Files\ChimeraX 1.9\bin\Lib\site- packages\chimerax\core\commands\cli.py", line 3213, in run result = ci.function(session, **kw_args) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "C:\Program Files\ChimeraX 1.9\bin\Lib\site- packages\chimerax\alphafold\contacts.py", line 131, in alphafold_contacts with open(output_file, 'w') as f: ^^^^^^^^^^^^^^^^^^^^^^ PermissionError: [Errno 13] Permission denied: 'page' PermissionError: [Errno 13] Permission denied: 'page' File "C:\Program Files\ChimeraX 1.9\bin\Lib\site- packages\chimerax\alphafold\contacts.py", line 131, in alphafold_contacts with open(output_file, 'w') as f: ^^^^^^^^^^^^^^^^^^^^^^ See log for complete Python traceback. > outputFile Contacts.txt Unknown command: outputFile Contacts.txt > output contacts.txt Unknown command: output contacts.txt > alphafold contacts /B toAtoms /C outputFile contact.txt Traceback (most recent call last): File "C:\Program Files\ChimeraX 1.9\bin\Lib\site- packages\chimerax\cmd_line\tool.py", line 319, in execute cmd.run(cmd_text) File "C:\Program Files\ChimeraX 1.9\bin\Lib\site- packages\chimerax\core\commands\cli.py", line 3213, in run result = ci.function(session, **kw_args) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "C:\Program Files\ChimeraX 1.9\bin\Lib\site- packages\chimerax\alphafold\contacts.py", line 131, in alphafold_contacts with open(output_file, 'w') as f: ^^^^^^^^^^^^^^^^^^^^^^ PermissionError: [Errno 13] Permission denied: 'contact.txt' PermissionError: [Errno 13] Permission denied: 'contact.txt' File "C:\Program Files\ChimeraX 1.9\bin\Lib\site- packages\chimerax\alphafold\contacts.py", line 131, in alphafold_contacts with open(output_file, 'w') as f: ^^^^^^^^^^^^^^^^^^^^^^ See log for complete Python traceback. OpenGL version: 3.3.0 - Build 32.0.101.6078 OpenGL renderer: Intel(R) Iris(R) Xe Graphics OpenGL vendor: Intel Python: 3.11.4 Locale: en_GB.cp1252 Qt version: PyQt6 6.7.1, Qt 6.7.1 Qt runtime version: 6.7.3 Qt platform: windows Manufacturer: Dell Inc. Model: Latitude 7440 OS: Microsoft Windows 11 Education (Build 22631) Memory: 16,479,051,776 MaxProcessMemory: 137,438,953,344 CPU: 12 13th Gen Intel(R) Core(TM) i7-1365U OSLanguage: en-US Installed Packages: alabaster: 1.0.0 anyio: 4.7.0 appdirs: 1.4.4 asttokens: 3.0.0 auditwheel: 6.1.0 babel: 2.16.0 beautifulsoup4: 4.12.3 blockdiag: 3.0.0 blosc2: 3.0.0 build: 1.2.1 certifi: 2024.8.30 cftime: 1.6.4.post1 charset-normalizer: 3.4.0 ChimeraX-AddCharge: 1.5.18 ChimeraX-AddH: 2.2.6 ChimeraX-AlignmentAlgorithms: 2.0.2 ChimeraX-AlignmentHdrs: 3.5 ChimeraX-AlignmentMatrices: 2.1 ChimeraX-Alignments: 2.16.1 ChimeraX-AlphaFold: 1.0.1 ChimeraX-AltlocExplorer: 1.1.2 ChimeraX-AmberInfo: 1.0 ChimeraX-Arrays: 1.1 ChimeraX-Atomic: 1.58.8 ChimeraX-AtomicLibrary: 14.1.11 ChimeraX-AtomSearch: 2.0.1 ChimeraX-AxesPlanes: 2.4 ChimeraX-BasicActions: 1.1.2 ChimeraX-BILD: 1.0 ChimeraX-BlastProtein: 3.0.0 ChimeraX-BondRot: 2.0.4 ChimeraX-BugReporter: 1.0.1 ChimeraX-BuildStructure: 2.13.1 ChimeraX-Bumps: 1.0 ChimeraX-BundleBuilder: 1.4.0 ChimeraX-ButtonPanel: 1.0.1 ChimeraX-CageBuilder: 1.0.1 ChimeraX-CellPack: 1.0 ChimeraX-Centroids: 1.4 ChimeraX-ChangeChains: 1.1 ChimeraX-CheckWaters: 1.4 ChimeraX-ChemGroup: 2.0.1 ChimeraX-Clashes: 2.3 ChimeraX-ColorActions: 1.0.5 ChimeraX-ColorGlobe: 1.0 ChimeraX-ColorKey: 1.5.6 ChimeraX-CommandLine: 1.2.5 ChimeraX-ConnectStructure: 2.0.1 ChimeraX-Contacts: 1.0.1 ChimeraX-Core: 1.9 ChimeraX-CoreFormats: 1.2 ChimeraX-coulombic: 1.4.4 ChimeraX-Crosslinks: 1.0 ChimeraX-Crystal: 1.0 ChimeraX-CrystalContacts: 1.0.1 ChimeraX-DataFormats: 1.2.3 ChimeraX-Dicom: 1.2.6 ChimeraX-DistMonitor: 1.4.2 ChimeraX-DockPrep: 1.1.3 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 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: 1.2.1 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: 2.1.6 ChimeraX-MCopy: 1.0 ChimeraX-MDcrds: 2.7.2 ChimeraX-MedicalToolbar: 1.1 ChimeraX-Meeting: 1.0.1 ChimeraX-MLP: 1.1.1 ChimeraX-mmCIF: 2.14.2 ChimeraX-MMTF: 2.2 ChimeraX-ModelArchive: 1.0 ChimeraX-Modeller: 1.5.18 ChimeraX-ModelPanel: 1.5 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 ChimeraX-OrthoPick: 1.0.1 ChimeraX-PDB: 2.7.6 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: 1.1.2 ChimeraX-PubChem: 2.2 ChimeraX-ReadPbonds: 1.0.1 ChimeraX-Registration: 1.1.2 ChimeraX-RemoteControl: 1.0 ChimeraX-RenderByAttr: 1.6.2 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: 2.0.2 ChimeraX-Segger: 1.0 ChimeraX-Segment: 1.0.1 ChimeraX-Segmentations: 3.5.6 ChimeraX-SelInspector: 1.0 ChimeraX-SeqView: 2.14 ChimeraX-Shape: 1.0.1 ChimeraX-Shell: 1.0.1 ChimeraX-Shortcuts: 1.2.0 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: 1.18.1 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 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: 1.41 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: 1.1.4 ChimeraX-Zone: 1.0.1 colorama: 0.4.6 comm: 0.2.2 comtypes: 1.4.5 contourpy: 1.3.1 cxservices: 1.2.3 cycler: 0.12.1 Cython: 3.0.10 debugpy: 1.8.9 decorator: 5.1.1 docutils: 0.21.2 executing: 2.1.0 filelock: 3.15.4 fonttools: 4.55.3 funcparserlib: 2.0.0a0 glfw: 2.8.0 grako: 3.16.5 h11: 0.14.0 h5py: 3.12.1 html2text: 2024.2.26 httpcore: 1.0.7 httpx: 0.28.1 idna: 3.10 ihm: 1.3 imagecodecs: 2024.6.1 imagesize: 1.4.1 ipykernel: 6.29.5 ipython: 8.26.0 ipywidgets: 8.1.5 jedi: 0.19.1 Jinja2: 3.1.4 jupyter_client: 8.6.2 jupyter_core: 5.7.2 jupyterlab_widgets: 3.0.13 kiwisolver: 1.4.7 line_profiler: 4.1.3 lxml: 5.2.2 lz4: 4.3.3 MarkupSafe: 3.0.2 matplotlib: 3.9.2 matplotlib-inline: 0.1.7 msgpack: 1.0.8 ndindex: 1.9.2 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: 2.2.4 numpy: 1.26.4 openvr: 1.26.701 packaging: 23.2 ParmEd: 4.2.2 parso: 0.8.4 pep517: 0.13.1 pillow: 10.4.0 pip: 24.2 pkginfo: 1.11.1 platformdirs: 4.3.6 prompt_toolkit: 3.0.48 psutil: 6.0.0 pure_eval: 0.2.3 py-cpuinfo: 9.0.0 pycollada: 0.8 pydicom: 2.4.4 pyelftools: 0.31 Pygments: 2.18.0 pynmrstar: 3.3.4 pynrrd: 1.0.0 PyOpenGL: 3.1.7 PyOpenGL-accelerate: 3.1.7 pyopenxr: 1.0.3401 pyparsing: 3.2.0 pyproject_hooks: 1.2.0 PyQt6-commercial: 6.7.1 PyQt6-Qt6: 6.7.3 PyQt6-WebEngine-commercial: 6.7.0 PyQt6-WebEngine-Qt6: 6.7.3 PyQt6-WebEngineSubwheel-Qt6: 6.7.3 PyQt6_sip: 13.8.0 python-dateutil: 2.9.0.post0 pytz: 2024.2 pywin32: 306 pyzmq: 26.2.0 qtconsole: 5.5.2 QtPy: 2.4.2 qtshim: 1.0 RandomWords: 0.4.0 requests: 2.32.3 scipy: 1.14.0 setuptools: 72.1.0 sfftk-rw: 0.8.1 six: 1.16.0 sniffio: 1.3.1 snowballstemmer: 2.2.0 sortedcontainers: 2.4.0 soupsieve: 2.6 Sphinx: 8.0.2 sphinx-autodoc-typehints: 2.2.3 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: 0.6.3 tables: 3.10.1 tcia_utils: 1.5.1 tifffile: 2024.7.24 tinyarray: 1.2.4 toml: 0.10.2 tornado: 6.4.2 traitlets: 5.14.3 typing_extensions: 4.12.2 tzdata: 2024.2 urllib3: 2.2.3 wcwidth: 0.2.13 webcolors: 24.6.0 wheel: 0.43.0 wheel-filename: 1.4.1 widgetsnbextension: 4.0.13 WMI: 1.5.1
Change History (3)
comment:2 by , 4 months ago
Component: | Unassigned → Structure Prediction |
---|---|
Owner: | set to |
Platform: | → all |
Project: | → ChimeraX |
Status: | new → assigned |
Summary: | ChimeraX bug report submission → alphafold contacts: Permission denied |
comment:3 by , 4 months ago
Resolution: | → nonchimerax |
---|---|
Status: | assigned → closed |
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