Opened 5 years ago
Closed 5 years ago
#4540 closed defect (fixed)
Atom name > 4 characters
Reported by: | Greg Couch | Owned by: | pett |
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Priority: | normal | Milestone: | |
Component: | Core | Version: | |
Keywords: | Cc: | ||
Blocked By: | Blocking: | ||
Notify when closed: | Platform: | all | |
Project: | ChimeraX |
Description
The following bug report has been submitted: Platform: Windows-10-10.0.19041 ChimeraX Version: 1.1 (2020-09-09 22:22:27 UTC) Description Tried to load example rmf file, https://github.com/salilab/rmf_examples/blob/main/multiresolution/multres.rmf Log: UCSF ChimeraX version: 1.1 (2020-09-09) © 2016-2020 Regents of the University of California. All rights reserved. How to cite UCSF ChimeraX > open C:/Users/gregc/Downloads/multres.rmf Traceback (most recent call last): File "C:\Program Files\ChimeraX 1.1\bin\lib\site- packages\chimerax\open_command\dialog.py", line 150, in _qt_safe if data_format is None else " format " + StringArg.unparse(data_format.nicknames[0]))) File "C:\Program Files\ChimeraX 1.1\bin\lib\site- packages\chimerax\core\commands\run.py", line 31, in run results = command.run(text, log=log) File "C:\Program Files\ChimeraX 1.1\bin\lib\site- packages\chimerax\core\commands\cli.py", line 2805, in run result = ci.function(session, **kw_args) File "C:\Program Files\ChimeraX 1.1\bin\lib\site- packages\chimerax\open_command\cmd.py", line 100, in cmd_open return Command(session, registry=registry).run(provider_cmd_text, log=log) File "C:\Program Files\ChimeraX 1.1\bin\lib\site- packages\chimerax\core\commands\cli.py", line 2805, in run result = ci.function(session, **kw_args) File "C:\Program Files\ChimeraX 1.1\bin\lib\site- packages\chimerax\open_command\cmd.py", line 154, in provider_open name or model_name_from_path(fi.file_name)), provider_kw) File "C:\Program Files\ChimeraX 1.1\bin\lib\site- packages\chimerax\open_command\cmd.py", line 389, in collated_open return func(*func_args, **func_kw) File "C:\Users\gregc\AppData\Local\UCSF\ChimeraX\1.1\site- packages\chimerax\rmf\io.py", line 24, in open return open_rmf(session, data) File "C:\Users\gregc\AppData\Local\UCSF\ChimeraX\1.1\site- packages\chimerax\rmf\io.py", line 36, in open_rmf r, structures = rl.load(path, session) File "C:\Users\gregc\AppData\Local\UCSF\ChimeraX\1.1\site- packages\chimerax\rmf\io.py", line 992, in load _provenance_chains, None) File "C:\Users\gregc\AppData\Local\UCSF\ChimeraX\1.1\site- packages\chimerax\rmf\io.py", line 1116, in _handle_node provenance, rmf_dir, provenance_chains, rmf_nodes[0])) File "C:\Users\gregc\AppData\Local\UCSF\ChimeraX\1.1\site- packages\chimerax\rmf\io.py", line 1116, in _handle_node provenance, rmf_dir, provenance_chains, rmf_nodes[0])) File "C:\Users\gregc\AppData\Local\UCSF\ChimeraX\1.1\site- packages\chimerax\rmf\io.py", line 1116, in _handle_node provenance, rmf_dir, provenance_chains, rmf_nodes[0])) [Previous line repeated 3 more times] File "C:\Users\gregc\AppData\Local\UCSF\ChimeraX\1.1\site- packages\chimerax\rmf\io.py", line 1103, in _handle_node atom = self._add_atom(node, p, p.get_mass(), rhi) File "C:\Users\gregc\AppData\Local\UCSF\ChimeraX\1.1\site- packages\chimerax\rmf\io.py", line 1003, in _add_atom atom = rhi.new_atom(p, mass, name=name, element=ap.get_element()) File "C:\Users\gregc\AppData\Local\UCSF\ChimeraX\1.1\site- packages\chimerax\rmf\io.py", line 878, in new_atom atom = state.new_atom(name, element) File "C:\Program Files\ChimeraX 1.1\bin\lib\site- packages\chimerax\atomic\molobject.py", line 1554, in new_atom return f(self._c_pointer, atom_name.encode('utf-8'), element._c_pointer) TypeError: Atom Name "Atom N of residue 6" too long, maximum 4 characters. TypeError: Atom Name "Atom N of residue 6" too long, maximum 4 characters. File "C:\Program Files\ChimeraX 1.1\bin\lib\site- packages\chimerax\atomic\molobject.py", line 1554, in new_atom return f(self._c_pointer, atom_name.encode('utf-8'), element._c_pointer) See log for complete Python traceback. OpenGL version: 3.3.0 NVIDIA 461.72 OpenGL renderer: GeForce GTX 970/PCIe/SSE2 OpenGL vendor: NVIDIA Corporation Manufacturer: MSI Model: MS-7885 OS: Microsoft Windows 10 Home (Build 19041) Memory: 34,258,157,568 MaxProcessMemory: 137,438,953,344 CPU: 12 Intel(R) Core(TM) i7-5820K CPU @ 3.30GHz" PyQt version: 5.12.3 Compiled Qt version: 5.12.4 Runtime Qt version: 5.12.9 Installed Packages: alabaster: 0.7.12 appdirs: 1.4.4 Babel: 2.8.0 backcall: 0.2.0 biopython: 1.78 blockdiag: 2.0.1 certifi: 2020.6.20 chardet: 3.0.4 ChimeraX-AddH: 2.1.1 ChimeraX-AlignmentAlgorithms: 2.0 ChimeraX-AlignmentHdrs: 3.2 ChimeraX-AlignmentMatrices: 2.0 ChimeraX-Alignments: 2.1 ChimeraX-Arrays: 1.0 ChimeraX-Atomic: 1.6.1 ChimeraX-AtomSearch: 2.0 ChimeraX-AxesPlanes: 2.0 ChimeraX-BasicActions: 1.1 ChimeraX-BILD: 1.0 ChimeraX-BlastProtein: 1.1 ChimeraX-BondRot: 2.0 ChimeraX-BugReporter: 1.0 ChimeraX-BuildStructure: 2.0 ChimeraX-Bumps: 1.0 ChimeraX-BundleBuilder: 1.0 ChimeraX-ButtonPanel: 1.0 ChimeraX-CageBuilder: 1.0 ChimeraX-CellPack: 1.0 ChimeraX-Centroids: 1.1 ChimeraX-ChemGroup: 2.0 ChimeraX-Clashes: 2.0 ChimeraX-Clipper: 0.15.0 ChimeraX-ColorActions: 1.0 ChimeraX-ColorGlobe: 1.0 ChimeraX-CommandLine: 1.1.3 ChimeraX-ConnectStructure: 2.0 ChimeraX-Contacts: 1.0 ChimeraX-Core: 1.1 ChimeraX-CoreFormats: 1.0 ChimeraX-coulombic: 1.0.1 ChimeraX-Crosslinks: 1.0 ChimeraX-Crystal: 1.0 ChimeraX-DataFormats: 1.0 ChimeraX-Dicom: 1.0 ChimeraX-DistMonitor: 1.1 ChimeraX-DistUI: 1.0 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: 1.0 ChimeraX-Hbonds: 2.0 ChimeraX-Help: 1.0 ChimeraX-HKCage: 1.0 ChimeraX-IHM: 1.0 ChimeraX-ImageFormats: 1.0 ChimeraX-IMOD: 1.0 ChimeraX-IO: 1.0 ChimeraX-ISOLDE: 1.1.0 ChimeraX-Label: 1.0 ChimeraX-ListInfo: 1.0 ChimeraX-Log: 1.1.1 ChimeraX-LookingGlass: 1.1 ChimeraX-Maestro: 1.0 ChimeraX-Map: 1.0.1 ChimeraX-MapData: 2.0 ChimeraX-MapEraser: 1.0 ChimeraX-MapFilter: 2.0 ChimeraX-MapFit: 2.0 ChimeraX-MapSeries: 2.0 ChimeraX-Markers: 1.0 ChimeraX-Mask: 1.0 ChimeraX-MatchMaker: 1.1 ChimeraX-MDcrds: 2.0 ChimeraX-MedicalToolbar: 1.0.1 ChimeraX-Meeting: 1.0 ChimeraX-MLP: 1.0 ChimeraX-mmCIF: 2.2 ChimeraX-MMTF: 2.0 ChimeraX-Modeller: 1.0 ChimeraX-ModelPanel: 1.0 ChimeraX-ModelSeries: 1.0 ChimeraX-Mol2: 2.0 ChimeraX-Morph: 1.0 ChimeraX-MouseModes: 1.0 ChimeraX-Movie: 1.0 ChimeraX-Neuron: 1.0 ChimeraX-Nucleotides: 2.0 ChimeraX-OpenCommand: 1.2.1 ChimeraX-PDB: 2.1 ChimeraX-PDBBio: 1.0 ChimeraX-PickBlobs: 1.0 ChimeraX-Positions: 1.0 ChimeraX-PresetMgr: 1.0 ChimeraX-PubChem: 2.0 ChimeraX-Read-Pbonds: 1.0 ChimeraX-Registration: 1.1 ChimeraX-RemoteControl: 1.0 ChimeraX-ResidueFit: 1.0 ChimeraX-RestServer: 1.0 ChimeraX-RMF: 0.9 ChimeraX-RNALayout: 1.0 ChimeraX-RotamerLibMgr: 2.0 ChimeraX-RotamerLibsDunbrack: 2.0 ChimeraX-RotamerLibsDynameomics: 2.0 ChimeraX-RotamerLibsRichardson: 2.0 ChimeraX-SaveCommand: 1.2 ChimeraX-SchemeMgr: 1.0 ChimeraX-SDF: 2.0 ChimeraX-Segger: 1.0 ChimeraX-Segment: 1.0 ChimeraX-SeqView: 2.2 ChimeraX-Shape: 1.0.1 ChimeraX-Shell: 1.0 ChimeraX-Shortcuts: 1.0 ChimeraX-ShowAttr: 1.0 ChimeraX-ShowSequences: 1.0 ChimeraX-SideView: 1.0 ChimeraX-SignalViewer: 1.0 ChimeraX-Smiles: 2.0 ChimeraX-SmoothLines: 1.0 ChimeraX-SpaceNavigator: 1.0 ChimeraX-StdCommands: 1.0.4 ChimeraX-STL: 1.0 ChimeraX-Storm: 1.0 ChimeraX-Struts: 1.0 ChimeraX-Surface: 1.0 ChimeraX-SwapAA: 2.0 ChimeraX-SwapRes: 2.0 ChimeraX-TapeMeasure: 1.0 ChimeraX-Test: 1.0 ChimeraX-Toolbar: 1.0 ChimeraX-ToolshedUtils: 1.0 ChimeraX-Tug: 1.0 ChimeraX-UI: 1.2.3 ChimeraX-uniprot: 2.0 ChimeraX-ViewDockX: 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: 0.4.3 comtypes: 1.1.7 cxservices: 1.0 cycler: 0.10.0 Cython: 0.29.20 decorator: 4.4.2 distlib: 0.3.1 docutils: 0.16 filelock: 3.0.12 funcparserlib: 0.3.6 gdcm: 2.8.8 grako: 3.16.5 h5py: 2.10.0 html2text: 2020.1.16 idna: 2.10 ihm: 0.16 imagecodecs: 2020.5.30 imagecodecs-lite: 2020.1.31 imagesize: 1.2.0 ipykernel: 5.3.0 ipython: 7.15.0 ipython-genutils: 0.2.0 jedi: 0.17.2 Jinja2: 2.11.2 jupyter-client: 6.1.3 jupyter-core: 4.6.3 kiwisolver: 1.2.0 line-profiler: 2.1.2 lxml: 4.5.1 MarkupSafe: 1.1.1 matplotlib: 3.2.1 msgpack: 1.0.0 netifaces: 0.10.9 networkx: 2.4 numexpr: 2.7.1 numpy: 1.18.5+mkl numpydoc: 1.0.0 openvr: 1.12.501 packaging: 20.4 parso: 0.7.1 pickleshare: 0.7.5 Pillow: 7.1.2 pip: 20.2.2 pkginfo: 1.5.0.1 prompt-toolkit: 3.0.7 psutil: 5.7.0 pycollada: 0.7.1 pydicom: 2.0.0 Pygments: 2.6.1 PyOpenGL: 3.1.5 PyOpenGL-accelerate: 3.1.5 pyparsing: 2.4.7 PyQt5-commercial: 5.12.3 PyQt5-sip: 4.19.19 PyQtWebEngine-commercial: 5.12.1 python-dateutil: 2.8.1 pytz: 2020.1 pywin32: 228 pyzmq: 19.0.2 qtconsole: 4.7.4 QtPy: 1.9.0 RandomWords: 0.3.0 requests: 2.24.0 scipy: 1.4.1 setuptools: 49.4.0 sfftk-rw: 0.6.6.dev0 six: 1.15.0 snowballstemmer: 2.0.0 sortedcontainers: 2.2.2 Sphinx: 3.1.1 sphinxcontrib-applehelp: 1.0.2 sphinxcontrib-blockdiag: 2.0.0 sphinxcontrib-devhelp: 1.0.2 sphinxcontrib-htmlhelp: 1.0.3 sphinxcontrib-jsmath: 1.0.1 sphinxcontrib-qthelp: 1.0.3 sphinxcontrib-serializinghtml: 1.1.4 suds-jurko: 0.6 tables: 3.6.1 tifffile: 2020.6.3 tinyarray: 1.2.2 tornado: 6.0.4 traitlets: 5.0.4 urllib3: 1.25.10 wcwidth: 0.2.5 webcolors: 1.11.1 wheel: 0.34.2 WMI: 1.5.1
Change History (2)
comment:1 by , 5 years ago
Component: | Unassigned → Core |
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Owner: | set to |
Platform: | → all |
Project: | → ChimeraX |
Status: | new → accepted |
Summary: | ChimeraX bug report submission → Atom name > 4 characters |
comment:2 by , 5 years ago
Resolution: | → fixed |
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Status: | accepted → closed |
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This limitation has been lifted in 1.2 and the daily build, though it's not possible to test it directly on this file since the RMF bundle isn't yet compatible with 1.2.