Opened 4 years ago
Closed 4 years ago
#5593 closed defect (fixed)
Cannot "color byattr" booleans
Reported by: | Owned by: | pett | |
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Priority: | normal | Milestone: | |
Component: | Structure Analysis | Version: | |
Keywords: | Cc: | ||
Blocked By: | Blocking: | ||
Notify when closed: | Platform: | all | |
Project: | ChimeraX |
Description
The following bug report has been submitted: Platform: Windows-10-10.0.18362 ChimeraX Version: 1.4.dev202111111002 (2021-11-11 10:02:38 UTC) Description (Describe the actions that caused this problem to occur here) (Describe the actions that caused this problem to occur here) Trying to assign attribute to specific residues. The defattr file opens and executes fine. The correct assignments are reported in the log. But when I try to color the residures with that attribute I get the error: No known/registered attribute CasEpitope. Where CasEpitope is the name of my attribute. I updated to the daily build of chimeraX but I still get the same error Log: UCSF ChimeraX version: 1.4.dev202111111002 (2021-11-11) © 2016-2021 Regents of the University of California. All rights reserved. How to cite UCSF ChimeraX > open "C:/Users/mjc265/Documents/COG-UK/Mono_Polyclonal Resistance/Single > Muts Data/Structure/Raw Structural Data/Spike_P0DTC2.cif" Spike_P0DTC2.cif title: Structure of SARS-CoV-2 spike at pH 5.5, all RBDs down [more info...] Chain information for Spike_P0DTC2.cif #1 --- Chain | Description | UniProt A B C | Spike glycoprotein | SPIKE_SARS2 Non-standard residues in Spike_P0DTC2.cif #1 --- NAG — 2-acetamido-2-deoxy-beta-D-glucopyranose (N-acetyl-beta-D-glucosamine; 2-acetamido-2-deoxy-beta-D-glucose; 2-acetamido-2-deoxy-D-glucose; 2-acetamido-2-deoxy-glucose; N-ACETYL-D-GLUCOSAMINE) > select down Nothing selected > select down Nothing selected > open "C:/Users/mjc265/Documents/COG-UK/Mono_Polyclonal Resistance/Single > Muts Data/Structure/Raw Structural Data/Spike_P0DTC2.cif" format defattr log > true Traceback (most recent call last): File "C:\Program Files\ChimeraX 1.4.dev202111111002\bin\lib\site- packages\chimerax\std_commands\defattr.py", line 105, in defattr name, value = line.split(": ") ValueError: not enough values to unpack (expected 2, got 1) During handling of the above exception, another exception occurred: Traceback (most recent call last): File "C:\Program Files\ChimeraX 1.4.dev202111111002\bin\lib\site- packages\chimerax\cmd_line\tool.py", line 297, in execute cmd.run(cmd_text) File "C:\Program Files\ChimeraX 1.4.dev202111111002\bin\lib\site- packages\chimerax\core\commands\cli.py", line 2875, in run result = ci.function(session, **kw_args) File "C:\Program Files\ChimeraX 1.4.dev202111111002\bin\lib\site- packages\chimerax\open_command\cmd.py", line 118, in cmd_open models = Command(session, registry=registry).run(provider_cmd_text, log=log)[0] File "C:\Program Files\ChimeraX 1.4.dev202111111002\bin\lib\site- packages\chimerax\core\commands\cli.py", line 2875, in run result = ci.function(session, **kw_args) File "C:\Program Files\ChimeraX 1.4.dev202111111002\bin\lib\site- packages\chimerax\open_command\cmd.py", line 193, in provider_open models, status = collated_open(session, None, [data], data_format, _add_models, File "C:\Program Files\ChimeraX 1.4.dev202111111002\bin\lib\site- packages\chimerax\open_command\cmd.py", line 457, in collated_open return remember_data_format() File "C:\Program Files\ChimeraX 1.4.dev202111111002\bin\lib\site- packages\chimerax\open_command\cmd.py", line 428, in remember_data_format models, status = func(*func_args, **func_kw) File "C:\Program Files\ChimeraX 1.4.dev202111111002\bin\lib\site- packages\chimerax\std_commands\\__init__.py", line 81, in open defattr(session, data, file_name=file_name, **kw) File "C:\Program Files\ChimeraX 1.4.dev202111111002\bin\lib\site- packages\chimerax\std_commands\defattr.py", line 107, in defattr raise SyntaxError("Line %d in %s is either not of the form 'name: value'" SyntaxError: Line 1 in Spike_P0DTC2.cif is either not of the form 'name: value' or is missing initial tab SyntaxError: Line 1 in Spike_P0DTC2.cif is either not of the form 'name: value' or is missing initial tab File "C:\Program Files\ChimeraX 1.4.dev202111111002\bin\lib\site- packages\chimerax\std_commands\defattr.py", line 107, in defattr raise SyntaxError("Line %d in %s is either not of the form 'name: value'" See log for complete Python traceback. > open "C:/Users/mjc265/Documents/COG-UK/Mono_Polyclonal Resistance/Single > Muts Data/Structure/Chimera Attributes/Cas_Epitope.defattr" format defattr > log true Summary of feedback from opening C:/Users/mjc265/Documents/COG- UK/Mono_Polyclonal Resistance/Single Muts Data/Structure/Chimera Attributes/Cas_Epitope.defattr --- notes | Selector :403 matched /A ARG 403, /B ARG 403, and /C ARG 403 Selector :417 matched /A LYS 417, /B LYS 417, and /C LYS 417 Selector :421 matched /A TYR 421, /B TYR 421, and /C TYR 421 Selector :453 matched /A TYR 453, /B TYR 453, and /C TYR 453 Selector :455 matched /A LEU 455, /B LEU 455, and /C LEU 455 Selector :456 matched /A PHE 456, /B PHE 456, and /C PHE 456 Selector :475 matched /A ALA 475, /B ALA 475, and /C ALA 475 Selector :476 matched /A GLY 476, /B GLY 476, and /C GLY 476 Selector :484 matched /A GLU 484, /B GLU 484, and /C GLU 484 Selector :485 matched /A GLY 485, /B GLY 485, and /C GLY 485 Selector :486 matched /A PHE 486, /B PHE 486, and /C PHE 486 Selector :487 matched /A ASN 487, /B ASN 487, and /C ASN 487 Selector :488 matched /A CYS 488, /B CYS 488, and /C CYS 488 Selector :489 matched /A TYR 489, /B TYR 489, and /C TYR 489 Selector :493 matched /A GLN 493, /B GLN 493, and /C GLN 493 Assigned attribute 'CasEpitope' to 45 residues using match mode: any > color byattribute CasEpitope :403, 417, 421, 453, 455, 456, 475, 476, 484, > 485, 486, 487, 488, 489, 493 No known/registered attribute CasEpitope > save "C:/Users/mjc265/Documents/COG-UK/Mono_Polyclonal Resistance/Single > Muts Data/Structure/working sessions/working session Cas Epitope.cxs" OpenGL version: 3.3.0 - Build 27.20.100.8681 OpenGL renderer: Intel(R) UHD Graphics OpenGL vendor: Intel Manufacturer: Dell Inc. Model: Latitude 5410 OS: Microsoft Windows 10 Enterprise (Build 18362) Memory: 8,166,801,408 MaxProcessMemory: 137,438,953,344 CPU: 8 Intel(R) Core(TM) i5-10310U CPU @ 1.70GHz OSLanguage: en-GB Locale: ('en_GB', 'cp1252') PyQt5 5.15.2, Qt 5.15.2 Installed Packages: alabaster: 0.7.12 appdirs: 1.4.4 Babel: 2.9.1 backcall: 0.2.0 blockdiag: 2.0.1 certifi: 2021.10.8 cftime: 1.5.1.1 charset-normalizer: 2.0.7 ChimeraX-AddCharge: 1.1.5 ChimeraX-AddH: 2.1.10 ChimeraX-AlignmentAlgorithms: 2.0 ChimeraX-AlignmentHdrs: 3.2 ChimeraX-AlignmentMatrices: 2.0 ChimeraX-Alignments: 2.2.3 ChimeraX-AlphaFold: 1.0 ChimeraX-AltlocExplorer: 1.0.1 ChimeraX-AmberInfo: 1.0 ChimeraX-Arrays: 1.0 ChimeraX-Atomic: 1.31 ChimeraX-AtomicLibrary: 4.1.7 ChimeraX-AtomSearch: 2.0 ChimeraX-AtomSearchLibrary: 1.0 ChimeraX-AxesPlanes: 2.1 ChimeraX-BasicActions: 1.1 ChimeraX-BILD: 1.0 ChimeraX-BlastProtein: 2.0 ChimeraX-BondRot: 2.0 ChimeraX-BugReporter: 1.0 ChimeraX-BuildStructure: 2.6 ChimeraX-Bumps: 1.0 ChimeraX-BundleBuilder: 1.1 ChimeraX-ButtonPanel: 1.0 ChimeraX-CageBuilder: 1.0 ChimeraX-CellPack: 1.0 ChimeraX-Centroids: 1.2 ChimeraX-ChemGroup: 2.0 ChimeraX-Clashes: 2.2.2 ChimeraX-ColorActions: 1.0 ChimeraX-ColorGlobe: 1.0 ChimeraX-ColorKey: 1.5 ChimeraX-CommandLine: 1.1.5 ChimeraX-ConnectStructure: 2.0 ChimeraX-Contacts: 1.0 ChimeraX-Core: 1.4.dev202111111002 ChimeraX-CoreFormats: 1.1 ChimeraX-coulombic: 1.3.1 ChimeraX-Crosslinks: 1.0 ChimeraX-Crystal: 1.0 ChimeraX-CrystalContacts: 1.0 ChimeraX-DataFormats: 1.2.2 ChimeraX-Dicom: 1.0 ChimeraX-DistMonitor: 1.1.5 ChimeraX-Dssp: 2.0 ChimeraX-EMDB-SFF: 1.0 ChimeraX-ExperimentalCommands: 1.0 ChimeraX-FileHistory: 1.0 ChimeraX-FunctionKey: 1.0 ChimeraX-Geometry: 1.1 ChimeraX-gltf: 1.0 ChimeraX-Graphics: 1.1 ChimeraX-Hbonds: 2.1.2 ChimeraX-Help: 1.2 ChimeraX-HKCage: 1.3 ChimeraX-IHM: 1.1 ChimeraX-ImageFormats: 1.2 ChimeraX-IMOD: 1.0 ChimeraX-IO: 1.0.1 ChimeraX-ItemsInspection: 1.0 ChimeraX-Label: 1.1 ChimeraX-ListInfo: 1.1.1 ChimeraX-Log: 1.1.5 ChimeraX-LookingGlass: 1.1 ChimeraX-Maestro: 1.8.1 ChimeraX-Map: 1.1 ChimeraX-MapData: 2.0 ChimeraX-MapEraser: 1.0 ChimeraX-MapFilter: 2.0 ChimeraX-MapFit: 2.0 ChimeraX-MapSeries: 2.1 ChimeraX-Markers: 1.0 ChimeraX-Mask: 1.0 ChimeraX-MatchMaker: 2.0.4 ChimeraX-MDcrds: 2.6 ChimeraX-MedicalToolbar: 1.0.1 ChimeraX-Meeting: 1.0 ChimeraX-MLP: 1.1 ChimeraX-mmCIF: 2.4 ChimeraX-MMTF: 2.1 ChimeraX-Modeller: 1.3.2 ChimeraX-ModelPanel: 1.2.1 ChimeraX-ModelSeries: 1.0 ChimeraX-Mol2: 2.0 ChimeraX-Morph: 1.0 ChimeraX-MouseModes: 1.1 ChimeraX-Movie: 1.0 ChimeraX-Neuron: 1.0 ChimeraX-Nucleotides: 2.0.2 ChimeraX-OpenCommand: 1.8 ChimeraX-PDB: 2.6.5 ChimeraX-PDBBio: 1.0 ChimeraX-PDBLibrary: 1.0.2 ChimeraX-PDBMatrices: 1.0 ChimeraX-PickBlobs: 1.0 ChimeraX-Positions: 1.0 ChimeraX-PresetMgr: 1.0.1 ChimeraX-PubChem: 2.1 ChimeraX-ReadPbonds: 1.0 ChimeraX-Registration: 1.1 ChimeraX-RemoteControl: 1.0 ChimeraX-ResidueFit: 1.0 ChimeraX-RestServer: 1.1 ChimeraX-RNALayout: 1.0 ChimeraX-RotamerLibMgr: 2.0.1 ChimeraX-RotamerLibsDunbrack: 2.0 ChimeraX-RotamerLibsDynameomics: 2.0 ChimeraX-RotamerLibsRichardson: 2.0 ChimeraX-SaveCommand: 1.5 ChimeraX-SchemeMgr: 1.0 ChimeraX-SDF: 2.0 ChimeraX-Segger: 1.0 ChimeraX-Segment: 1.0 ChimeraX-SelInspector: 1.0 ChimeraX-SeqView: 2.4.6 ChimeraX-Shape: 1.0.1 ChimeraX-Shell: 1.0 ChimeraX-Shortcuts: 1.1 ChimeraX-ShowAttr: 1.0 ChimeraX-ShowSequences: 1.0 ChimeraX-SideView: 1.0 ChimeraX-Smiles: 2.1 ChimeraX-SmoothLines: 1.0 ChimeraX-SpaceNavigator: 1.0 ChimeraX-StdCommands: 1.6 ChimeraX-STL: 1.0 ChimeraX-Storm: 1.0 ChimeraX-StructMeasure: 1.0 ChimeraX-Struts: 1.0 ChimeraX-Surface: 1.0 ChimeraX-SwapAA: 2.0 ChimeraX-SwapRes: 2.1 ChimeraX-TapeMeasure: 1.0 ChimeraX-Test: 1.0 ChimeraX-Toolbar: 1.1 ChimeraX-ToolshedUtils: 1.2 ChimeraX-Tug: 1.0 ChimeraX-UI: 1.14 ChimeraX-uniprot: 2.2 ChimeraX-UnitCell: 1.0 ChimeraX-ViewDockX: 1.0.1 ChimeraX-VIPERdb: 1.0 ChimeraX-Vive: 1.1 ChimeraX-VolumeMenu: 1.0 ChimeraX-VTK: 1.0 ChimeraX-WavefrontOBJ: 1.0 ChimeraX-WebCam: 1.0 ChimeraX-WebServices: 1.0 ChimeraX-Zone: 1.0 colorama: 0.4.4 comtypes: 1.1.10 cxservices: 1.1 cycler: 0.11.0 Cython: 0.29.24 decorator: 5.1.0 docutils: 0.17.1 filelock: 3.0.12 funcparserlib: 0.3.6 grako: 3.16.5 h5py: 3.5.0 html2text: 2020.1.16 idna: 3.3 ihm: 0.21 imagecodecs: 2021.4.28 imagesize: 1.3.0 ipykernel: 5.5.5 ipython: 7.23.1 ipython-genutils: 0.2.0 jedi: 0.18.0 Jinja2: 3.0.1 jupyter-client: 6.1.12 jupyter-core: 4.9.1 kiwisolver: 1.3.2 lxml: 4.6.3 lz4: 3.1.3 MarkupSafe: 2.0.1 matplotlib: 3.4.3 matplotlib-inline: 0.1.3 msgpack: 1.0.2 netCDF4: 1.5.7 networkx: 2.6.3 numexpr: 2.7.3 numpy: 1.21.2 openvr: 1.16.801 packaging: 21.2 ParmEd: 3.2.0 parso: 0.8.2 pickleshare: 0.7.5 Pillow: 8.3.2 pip: 21.2.4 pkginfo: 1.7.1 prompt-toolkit: 3.0.22 psutil: 5.8.0 pycollada: 0.7.1 pydicom: 2.1.2 Pygments: 2.10.0 PyOpenGL: 3.1.5 PyOpenGL-accelerate: 3.1.5 pyparsing: 2.4.7 PyQt5-commercial: 5.15.2 PyQt5-sip: 12.8.1 PyQtWebEngine-commercial: 5.15.2 python-dateutil: 2.8.2 pytz: 2021.3 pywin32: 228 pyzmq: 22.3.0 qtconsole: 5.1.1 QtPy: 1.11.2 RandomWords: 0.3.0 requests: 2.26.0 scipy: 1.7.1 setuptools: 57.5.0 sfftk-rw: 0.7.1 six: 1.16.0 snowballstemmer: 2.1.0 sortedcontainers: 2.4.0 Sphinx: 4.2.0 sphinx-autodoc-typehints: 1.12.0 sphinxcontrib-applehelp: 1.0.2 sphinxcontrib-blockdiag: 2.0.0 sphinxcontrib-devhelp: 1.0.2 sphinxcontrib-htmlhelp: 2.0.0 sphinxcontrib-jsmath: 1.0.1 sphinxcontrib-qthelp: 1.0.3 sphinxcontrib-serializinghtml: 1.1.5 suds-jurko: 0.6 tables: 3.6.1 tifffile: 2021.4.8 tinyarray: 1.2.3 tornado: 6.1 traitlets: 5.1.1 urllib3: 1.26.7 wcwidth: 0.2.5 webcolors: 1.11.1 wheel: 0.37.0 wheel-filename: 1.3.0 WMI: 1.5.1 File attachment: working session Cas Epitope.cxs
Attachments (1)
Change History (4)
by , 4 years ago
Attachment: | working session Cas Epitope.cxs added |
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comment:1 by , 4 years ago
Component: | Unassigned → Structure Analysis |
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Owner: | set to |
Platform: | → all |
Project: | → ChimeraX |
Status: | new → accepted |
Summary: | ChimeraX bug report submission → Cannot "color byattr" booleans |
comment:2 by , 4 years ago
Hi MacGregor,
That error message is misleading. I will improve it. The problem is that you cannot "color byattr" non-numeric attributes, and your CasEpitope attribute is all boolean (in fact, all True, except for residue 403 in each chain which is ' true ' so you may have to fix your .defattr file). I think you simply want to use the regular color command with an atom specifier that picks out the CasEpitope residues. For instance to color all CasEpitope residues red you could use this command:
color ::CasEpitope red
--Eric
Eric Pettersen
UCSF Computer Graphics Lab
comment:3 by , 4 years ago
Resolution: | → fixed |
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Status: | accepted → closed |
I have revised the error message to clarify that it needs a numeric attribute.
Added by email2trac