Opened 4 years ago
Closed 4 years ago
#5144 closed defect (not a bug)
MD Viewer: opening non-trajectory
Reported by: | Owned by: | pett | |
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Priority: | normal | Milestone: | |
Component: | Third Party | Version: | |
Keywords: | Cc: | ||
Blocked By: | Blocking: | ||
Notify when closed: | Platform: | all | |
Project: | ChimeraX |
Description
The following bug report has been submitted: Platform: Linux-5.8.0-55-generic-x86_64-with-debian-bullseye-sid ChimeraX Version: 1.1 (2020-09-09 22:22:27 UTC) Description (Describe the actions that caused this problem to occur here) 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 /home/gbolcato/Desktop/symeres/allegati/traj.pdb Chain information for traj.pdb --- Chain | Description 1.1/X 1.2/X 1.3/X 1.4/X 1.5/X 1.6/X 1.7/X 1.8/X 1.9/X 1.10/X 1.11/X 1.12/X 1.13/X 1.14/X 1.15/X 1.16/X 1.17/X 1.18/X 1.19/X 1.20/X 1.21/X 1.22/X 1.23/X 1.24/X 1.25/X 1.26/X 1.27/X 1.28/X 1.29/X 1.30/X 1.31/X 1.32/X 1.33/X 1.34/X 1.35/X 1.36/X 1.37/X 1.38/X 1.39/X 1.40/X 1.41/X 1.42/X 1.43/X 1.44/X 1.45/X 1.46/X 1.47/X 1.48/X 1.49/X 1.50/X 1.51/X 1.52/X 1.53/X 1.54/X 1.55/X 1.56/X 1.57/X 1.58/X 1.59/X 1.60/X 1.61/X 1.62/X 1.63/X 1.64/X 1.65/X 1.66/X 1.67/X 1.68/X 1.69/X 1.70/X 1.71/X 1.72/X 1.73/X 1.74/X 1.75/X 1.76/X 1.77/X 1.78/X 1.79/X 1.80/X 1.81/X 1.82/X 1.83/X 1.84/X 1.85/X 1.86/X 1.87/X 1.88/X 1.89/X 1.90/X 1.91/X 1.92/X 1.93/X 1.94/X 1.95/X 1.96/X 1.97/X 1.98/X 1.99/X 1.100/X 1.101/X 1.102/X 1.103/X 1.104/X 1.105/X 1.106/X 1.107/X 1.108/X 1.109/X 1.110/X 1.111/X 1.112/X 1.113/X 1.114/X 1.115/X 1.116/X | No description available > close session > open /home/gbolcato/Desktop/symeres/allegati/rec.top Unrecognized file suffix '.top' > open /home/gbolcato/Desktop/symeres/allegati/rec.prmtop Unrecognized file suffix '.prmtop' > open /home/gbolcato/Desktop/symeres/allegati/dry_1.pdb Summary of feedback from opening /home/gbolcato/Desktop/symeres/allegati/dry_1.pdb --- warning | Ignored bad PDB record found on line 1 REMARK Selection 'protein or resn... or resname CYM' Chain information for dry_1.pdb #1 --- Chain | Description | No description available > ui tool show "Molecular Dynamics Viewer" Please register the custom scheme 'kmd' via QWebEngineUrlScheme::registerScheme() before installing the custom scheme handler. Traceback (most recent call last): File "/usr/lib/ucsf-chimerax/lib/python3.7/site-packages/chimerax/ui/gui.py", line 629, in customEvent func(*args, **kw) File "/home/gbolcato/.local/share/ChimeraX/1.1/site- packages/com/kdiller/dynamics/viewer/gui.py", line 57, in handle_scheme self.openFile() File "/home/gbolcato/.local/share/ChimeraX/1.1/site- packages/com/kdiller/dynamics/viewer/gui.py", line 227, in openFile self.atomStruct.atoms.coords = self.atomLocation[0] IndexError: list index out of range IndexError: list index out of range File "/home/gbolcato/.local/share/ChimeraX/1.1/site- packages/com/kdiller/dynamics/viewer/gui.py", line 227, in openFile self.atomStruct.atoms.coords = self.atomLocation[0] See log for complete Python traceback. OpenGL version: 4.6 (Core Profile) Mesa 20.2.6 OpenGL renderer: Mesa Intel(R) UHD Graphics 620 (WHL GT2) OpenGL vendor: Intel Manufacturer: Micro-Star International Co., Ltd. Model: PS63 Modern 8RC OS: Ubuntu 20.04 focal Architecture: 64bit ELF CPU: 8 Intel(R) Core(TM) i7-8565U CPU @ 1.80GHz Cache Size: 8192 KB Memory: total used free shared buff/cache available Mem: 31Gi 2.6Gi 26Gi 563Mi 2.5Gi 27Gi Swap: 2.0Gi 0B 2.0Gi Graphics: 00:02.0 VGA compatible controller [0300]: Intel Corporation UHD Graphics 620 (Whiskey Lake) [8086:3ea0] DeviceName: Onboard - Video Subsystem: Micro-Star International Co., Ltd. [MSI] UHD Graphics 620 (Whiskey Lake) [1462:126c] 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 blockdiag: 2.0.1 certifi: 2020.6.20 chardet: 3.0.4 ChimeraX-AddH: 2.1.3 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: 1.0.1 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-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: 1.3 ChimeraX-IHM: 1.0 ChimeraX-ImageFormats: 1.0 ChimeraX-IMOD: 1.0 ChimeraX-IO: 1.0 ChimeraX-Label: 1.0 ChimeraX-LinuxSupport: 1.0 ChimeraX-ListInfo: 1.0 ChimeraX-Log: 1.1.1 ChimeraX-LookingGlass: 1.1 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-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-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 distro: 1.5.0 docutils: 0.16 filelock: 3.0.12 funcparserlib: 0.3.6 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 MolecularDynamicsViewer: 1.1 msgpack: 1.0.0 netifaces: 0.10.9 networkx: 2.4 numexpr: 2.7.1 numpy: 1.18.5 numpydoc: 1.0.0 openvr: 1.12.501 packaging: 20.4 parso: 0.7.1 pexpect: 4.8.0 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 ptyprocess: 0.6.0 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 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
Change History (2)
comment:1 by , 4 years ago
Component: | Unassigned → Third Party |
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Owner: | set to |
Platform: | → all |
Project: | → ChimeraX |
Status: | new → accepted |
Summary: | ChimeraX bug report submission → MD Viewer: opening non-trajectory |
comment:2 by , 4 years ago
Resolution: | → not a bug |
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Status: | accepted → closed |
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