Opened 2 years ago
Last modified 2 years ago
#9767 assigned defect
ISOLDE start sim: OpenMMException: Error compiling kernel
Reported by: | Owned by: | Tristan Croll | |
---|---|---|---|
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: Windows-10-10.0.19045 ChimeraX Version: 1.6.1 (2023-05-09 17:57:07 UTC) Description (Describe the actions that caused this problem to occur here) Log: You can double click a model's Name or ID in the model panel to edit those fields UCSF ChimeraX version: 1.6.1 (2023-05-09) © 2016-2023 Regents of the University of California. All rights reserved. How to cite UCSF ChimeraX > open C:/Users/y_saitoh/Documents/3D/Nramps/OsNr5-2Fabs/Nr5_22-471fin_2Fab- > all.pdb Chain information for Nr5_22-471fin_2Fab-all.pdb #1 --- Chain | Description A | No description available B | No description available C | No description available H | No description available L | No description available > style stick Changed 9892 atom styles > hide atoms > show atoms > hide atoms > show atoms > hide cartoons > show cartoons > style sphere Changed 9892 atom styles > hide cartoons > show cartoons > hide cartoons > show cartoons > style sphere Changed 9892 atom styles > style ball Changed 9892 atom styles > hide cartoons > show cartoons > style stick Changed 9892 atom styles > hide cartoons > show cartoons > show surfaces > hide surfaces > style sphere Changed 9892 atom styles > style ball Changed 9892 atom styles > nucleotides atoms > style nucleic stick Changed 0 atom styles > nucleotides fill > style nucleic stick Changed 0 atom styles > nucleotides atoms > style nucleic stick Changed 0 atom styles > nucleotides tube/slab shape box > nucleotides ladder > nucleotides atoms > style nucleic stick Changed 0 atom styles > color byhetero [Repeated 1 time(s)] > color bychain > color bypolymer > rainbow > coulombic The following residues are missing heavy (non-hydrogen) atoms, which may result in inaccurate electrostatics: /A LYS 156 /A GLU 158 /A CYS 240 /A ARG 241 /A PHE 242 /A PHE 243 Using Amber 20 recommended default charges and atom types for standard residues Coulombic values for Nr5_22-471fin_2Fab-all.pdb_A SES surface #1.2: minimum, -16.47, mean 0.51, maximum 16.52 Coulombic values for Nr5_22-471fin_2Fab-all.pdb_B SES surface #1.3: minimum, -13.79, mean -1.47, maximum 9.31 Coulombic values for Nr5_22-471fin_2Fab-all.pdb_C SES surface #1.4: minimum, -15.64, mean -0.27, maximum 14.80 Coulombic values for Nr5_22-471fin_2Fab-all.pdb_H SES surface #1.5: minimum, -12.72, mean -0.46, maximum 15.40 Coulombic values for Nr5_22-471fin_2Fab-all.pdb_L SES surface #1.6: minimum, -12.96, mean -1.82, maximum 10.55 To also show corresponding color key, enter the above coulombic command and add key true > mlp Map values for surface "Nr5_22-471fin_2Fab-all.pdb_A SES surface": minimum -31.5, mean 0.123, maximum 26.05 Map values for surface "Nr5_22-471fin_2Fab-all.pdb_B SES surface": minimum -31.6, mean -6.413, maximum 23.55 Map values for surface "Nr5_22-471fin_2Fab-all.pdb_C SES surface": minimum -26.45, mean -5.562, maximum 24.38 Map values for surface "Nr5_22-471fin_2Fab-all.pdb_H SES surface": minimum -26.47, mean -5.222, maximum 22.76 Map values for surface "Nr5_22-471fin_2Fab-all.pdb_L SES surface": minimum -31.47, mean -6.836, maximum 22.23 To also show corresponding color key, enter the above mlp command and add key true > color bfactor 9892 atoms, 1479 residues, 5 surfaces, atom bfactor range 15.9 to 93.7 > color bynucleotide > hbonds reveal true 1252 hydrogen bonds found > ~hbonds > style sphere Changed 9892 atom styles > style ball Changed 9892 atom styles > hide surfaces > color byhetero [Repeated 1 time(s)] > color bychain > color byhetero > hbonds reveal true 1252 hydrogen bonds found > open > C:/Users/y_saitoh/Documents/3D/Nramps/OsNr5-2Fabs/J95_007_volume_map_sharp.mrc Opened J95_007_volume_map_sharp.mrc as #2, grid size 362,362,362, pixel 0.752, shown at level 0.0626, step 2, values float32 > volume hide > volume show > volume style surface > volume style mesh > volume style image > transparency #1.2-6 50 > volume style surface > transparency 0 > volume showOutlineBox true > volume showOutlineBox false > volume showOutlineBox true > transparency 50 > volume showOutlineBox false > volume step 1 > volume step 2 > volume step 1 > volume #2 change image level -0.01641,0 level 0.06246,0.8 level 1.579,1 > volume #2 level -0.04891 > volume #2 level 0.01481 > volume step 2 > volume #2 level 0.062 > volume step 1 > volume #2 level 0.09917 > transparency 0 > volume #2 level 0.1841 > volume planes z style image imageMode "full region" > mousemode rightMode "move planes" > volume #2 style image region all imageMode "tilted slab" tiltedSlabAxis > 0,0,1 tiltedSlabOffset 136.1 tiltedSlabSpacing 0.752 tiltedSlabPlaneCount 10 > mousemode rightMode "rotate slab" > volume #2 level -0.01641,0 level 0.1103,0.8154 level 1.579,1 > volume #2 style image region all imageMode "tilted slab" tiltedSlabAxis > 0,0,1 tiltedSlabOffset 136.1 tiltedSlabSpacing 0.752 tiltedSlabPlaneCount 10 > mousemode rightMode "rotate slab" > volume planes z style image imageMode "full region" > mousemode rightMode "move planes" > volume planes z style image imageMode "full region" > mousemode rightMode "move planes" > volume planes z style image imageMode "full region" > mousemode rightMode "move planes" > volume region all imageMode "full region" > volume unzone > mousemode rightMode "crop volume" > volume showOutlineBox false > volume #2 orthoplanes xyz positionPlanes 181,181,181 style image region all > mousemode rightMode "move planes" > volume zone #2 nearAtoms #1 range 4.51 > volume #2 orthoplanes xyz positionPlanes 181,181,181 style image region all > mousemode rightMode "move planes" > volume region all imageMode "full region" > volume unzone > mousemode rightMode "crop volume" > volume zone #2 nearAtoms #1 range 4.51 [Repeated 3 time(s)] > volume planes z style image imageMode "full region" > mousemode rightMode "move planes" > volume #2 level -0.01641,0 level 0.1103,0.8154 level 1.069,0.9385 > volume #2 level -0.01641,0 level 0.1103,0.8154 level 0.9458,0.4769 > volume #2 level -0.01641,0 level 0.1103,0.8154 level 0.326,0.6769 > volume #2 level -0.01641,0 level 0.1103,0.8154 level 0.2327,0.8154 > volume #2 level -0.02641,0 level 0.1103,0.8154 level 0.2327,0.8154 > volume #2 level -0.02641,0 level 0.003618,0.8615 level 0.2327,0.8154 > volume #2 level -0.02641,0 level 0.003618,0.8615 level 0.3294,0.9846 > volume #2 style image region all imageMode "tilted slab" tiltedSlabAxis > 0,0,1 tiltedSlabOffset 136.1 tiltedSlabSpacing 0.752 tiltedSlabPlaneCount 10 > mousemode rightMode "rotate slab" > volume #2 level -0.02641,0 level 0.003618,0.8615 level 0.324,0.7385 > volume region all imageMode "full region" > volume unzone > mousemode rightMode "crop volume" > volume region all imageMode "full region" > volume unzone > mousemode rightMode "crop volume" > volume zone #2 nearAtoms #1 range 4.51 > volume region all imageMode "full region" > volume unzone > mousemode rightMode "crop volume" > volume showOutlineBox false > volume showOutlineBox true > volume style surface > color zone #2 near #1 distance 4.51 > surface dust #2 size 7.52 [Repeated 1 time(s)] > color zone #2 near #1 distance 4.51 > surface dust #2 size 7.52 > volume #2 level 0.1204 > surface dust #2 size 7.52 > color zone #2 near #1 distance 4.51 > surface dust #2 size 7.52 > volume hide > volume show > volume showOutlineBox false > transparency 50 > transparency 0 > color zone #2 near #1 distance 4.51 > surface dust #2 size 7.52 > volume region all imageMode "full region" > volume unzone > mousemode rightMode "crop volume" > volume region all imageMode "full region" > volume unzone > mousemode rightMode "crop volume" > volume region all imageMode "full region" > volume unzone > mousemode rightMode "crop volume" > volume zone #2 nearAtoms #1 range 4.51 > volume region all imageMode "full region" > volume unzone > mousemode rightMode "crop volume" > surface dust #2 size 7.52 > volume region all imageMode "full region" > volume unzone > mousemode rightMode "crop volume" > color zone #2 near #1 distance 4.51 > clipper associate #2 toModel #1 Opened J95_007_volume_map_sharp.mrc as #1.1.1.1, grid size 362,362,362, pixel 0.752, shown at level 0.261, step 1, values float32 Chain information for Nr5_22-471fin_2Fab-all.pdb --- Chain | Description 1.2/A | No description available 1.2/B | No description available 1.2/C | No description available 1.2/H | No description available 1.2/L | No description available > volume #1.1.1.1 region 164,146,150,196,177,181 > isolde start > set selectionWidth 4 ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side chains... ISOLDE: Corrected atom nomenclature of 43 residues in model #1.2 to IUPAC-IUB standards. > isolde set simFidelityMode Highest/Slowest ISOLDE: setting sim fidelity mode to Highest/Slowest nonbonded_cutoff_distance = 1.700000 use_gbsa = True gbsa_cutoff = 2.000000 > addh Summary of feedback from adding hydrogens to Nr5_22-471fin_2Fab-all.pdb #1.2 --- warnings | Not adding hydrogens to /A LYS 156 CB because it is missing heavy- atom bond partners Not adding hydrogens to /A GLU 158 CB because it is missing heavy-atom bond partners Not adding hydrogens to /A CYS 240 CB because it is missing heavy-atom bond partners Not adding hydrogens to /A ARG 241 CB because it is missing heavy-atom bond partners Not adding hydrogens to /A PHE 242 CB because it is missing heavy-atom bond partners 1 messages similar to the above omitted notes | No usable SEQRES records for Nr5_22-471fin_2Fab-all.pdb (#1.2) chain A; guessing termini instead No usable SEQRES records for Nr5_22-471fin_2Fab-all.pdb (#1.2) chain B; guessing termini instead No usable SEQRES records for Nr5_22-471fin_2Fab-all.pdb (#1.2) chain C; guessing termini instead No usable SEQRES records for Nr5_22-471fin_2Fab-all.pdb (#1.2) chain H; guessing termini instead No usable SEQRES records for Nr5_22-471fin_2Fab-all.pdb (#1.2) chain L; guessing termini instead Chain-initial residues that are actual N termini: /A ALA 18, /B ASP 1, /C GLN 1, /H GLU 1, /L ASP 2 Chain-initial residues that are not actual N termini: /A CYS 240, /B THR 109, /C GLY 142, /H GLY 142 Chain-final residues that are actual C termini: /B ARG 211, /C PRO 221, /H PRO 221 Chain-final residues that are not actual C termini: /A VAL 472, /A LYS 228, /B GLU 105, /C GLY 135, /H GLY 135, /L GLY 201 1243 hydrogen bonds Adding 'H' to /A CYS 240 Adding 'H' to /B THR 109 Adding 'H' to /C GLY 142 Adding 'H' to /H GLY 142 /A VAL 472 is not terminus, removing H atom from 'C' /L GLY 201 is not terminus, removing H atom from 'C' 10071 hydrogens added > ui tool show "Ramachandran Plot" > hide #1.3 models > show #1.3 models > hide #1.3 models > show #1.3 models > hide #1.3 models > show #1.3 models > hide #!1.2 models > hide #1.3 models > show #1.3 models > show #!1.2 models > select #1.2 19963 atoms, 19983 bonds, 1256 pseudobonds, 1479 residues, 11 models selected > isolde sim start sel Traceback (most recent call last): File "C:\Program Files\ChimeraX\bin\lib\site- packages\chimerax\cmd_line\tool.py", line 319, in execute cmd.run(cmd_text) File "C:\Program Files\ChimeraX\bin\lib\site- packages\chimerax\core\commands\cli.py", line 2897, in run result = ci.function(session, **kw_args) File "C:\Users\y_saitoh\AppData\Local\UCSF\ChimeraX\1.6\site- packages\chimerax\isolde\cmd\cmd.py", line 122, in isolde_sim isolde.start_sim() File "C:\Users\y_saitoh\AppData\Local\UCSF\ChimeraX\1.6\site- packages\chimerax\isolde\isolde.py", line 896, in start_sim sm.start_sim() File "C:\Users\y_saitoh\AppData\Local\UCSF\ChimeraX\1.6\site- packages\chimerax\isolde\openmm\openmm_interface.py", line 401, in start_sim sh.start_sim() File "C:\Users\y_saitoh\AppData\Local\UCSF\ChimeraX\1.6\site- packages\chimerax\isolde\openmm\openmm_interface.py", line 1432, in start_sim self._prepare_sim() File "C:\Users\y_saitoh\AppData\Local\UCSF\ChimeraX\1.6\site- packages\chimerax\isolde\openmm\openmm_interface.py", line 1377, in _prepare_sim s = self._simulation = app.Simulation(self.topology, self._system, File "C:\Program Files\ChimeraX\bin\lib\site- packages\openmm\app\simulation.py", line 103, in __init__ self.context = mm.Context(self.system, self.integrator, platform, platformProperties) File "C:\Program Files\ChimeraX\bin\lib\site-packages\openmm\openmm.py", line 4584, in __init__ _openmm.Context_swiginit(self, _openmm.new_Context(*args)) openmm.OpenMMException: Error compiling kernel: openmm.OpenMMException: Error compiling kernel: File "C:\Program Files\ChimeraX\bin\lib\site-packages\openmm\openmm.py", line 4584, in __init__ _openmm.Context_swiginit(self, _openmm.new_Context(*args)) See log for complete Python traceback. > isolde sim start sel Traceback (most recent call last): File "C:\Program Files\ChimeraX\bin\lib\site- packages\chimerax\cmd_line\tool.py", line 319, in execute cmd.run(cmd_text) File "C:\Program Files\ChimeraX\bin\lib\site- packages\chimerax\core\commands\cli.py", line 2897, in run result = ci.function(session, **kw_args) File "C:\Users\y_saitoh\AppData\Local\UCSF\ChimeraX\1.6\site- packages\chimerax\isolde\cmd\cmd.py", line 122, in isolde_sim isolde.start_sim() File "C:\Users\y_saitoh\AppData\Local\UCSF\ChimeraX\1.6\site- packages\chimerax\isolde\isolde.py", line 896, in start_sim sm.start_sim() File "C:\Users\y_saitoh\AppData\Local\UCSF\ChimeraX\1.6\site- packages\chimerax\isolde\openmm\openmm_interface.py", line 401, in start_sim sh.start_sim() File "C:\Users\y_saitoh\AppData\Local\UCSF\ChimeraX\1.6\site- packages\chimerax\isolde\openmm\openmm_interface.py", line 1432, in start_sim self._prepare_sim() File "C:\Users\y_saitoh\AppData\Local\UCSF\ChimeraX\1.6\site- packages\chimerax\isolde\openmm\openmm_interface.py", line 1377, in _prepare_sim s = self._simulation = app.Simulation(self.topology, self._system, File "C:\Program Files\ChimeraX\bin\lib\site- packages\openmm\app\simulation.py", line 103, in __init__ self.context = mm.Context(self.system, self.integrator, platform, platformProperties) File "C:\Program Files\ChimeraX\bin\lib\site-packages\openmm\openmm.py", line 4584, in __init__ _openmm.Context_swiginit(self, _openmm.new_Context(*args)) openmm.OpenMMException: Error compiling kernel: openmm.OpenMMException: Error compiling kernel: File "C:\Program Files\ChimeraX\bin\lib\site-packages\openmm\openmm.py", line 4584, in __init__ _openmm.Context_swiginit(self, _openmm.new_Context(*args)) See log for complete Python traceback. OpenGL version: 3.3.0 NVIDIA 431.94 OpenGL renderer: Quadro RTX 4000/PCIe/SSE2 OpenGL vendor: NVIDIA Corporation Python: 3.9.11 Locale: ja_JP.cp932 Qt version: PyQt6 6.4.2, Qt 6.4.2 Qt runtime version: 6.4.3 Qt platform: windows Manufacturer: To Be Filled By O.E.M. Model: To Be Filled By O.E.M. OS: Microsoft Windows 10 Pro (Build 19045) Memory: 68,636,749,824 MaxProcessMemory: 137,438,953,344 CPU: 16 Intel(R) Core(TM) i9-9900K CPU @ 3.60GHz OSLanguage: ja-JP Installed Packages: alabaster: 0.7.13 appdirs: 1.4.4 asttokens: 2.2.1 Babel: 2.12.1 backcall: 0.2.0 beautifulsoup4: 4.11.2 blockdiag: 3.0.0 build: 0.10.0 certifi: 2023.5.7 cftime: 1.6.2 charset-normalizer: 3.1.0 ChimeraX-AddCharge: 1.5.9.1 ChimeraX-AddH: 2.2.5 ChimeraX-AlignmentAlgorithms: 2.0.1 ChimeraX-AlignmentHdrs: 3.3.1 ChimeraX-AlignmentMatrices: 2.1 ChimeraX-Alignments: 2.9.3 ChimeraX-AlphaFold: 1.0 ChimeraX-AltlocExplorer: 1.0.3 ChimeraX-AmberInfo: 1.0 ChimeraX-Arrays: 1.1 ChimeraX-Atomic: 1.43.10 ChimeraX-AtomicLibrary: 10.0.6 ChimeraX-AtomSearch: 2.0.1 ChimeraX-AxesPlanes: 2.3.2 ChimeraX-BasicActions: 1.1.2 ChimeraX-BILD: 1.0 ChimeraX-BlastProtein: 2.1.2 ChimeraX-BondRot: 2.0.1 ChimeraX-BugReporter: 1.0.1 ChimeraX-BuildStructure: 2.8 ChimeraX-Bumps: 1.0 ChimeraX-BundleBuilder: 1.2.2 ChimeraX-ButtonPanel: 1.0.1 ChimeraX-CageBuilder: 1.0.1 ChimeraX-CellPack: 1.0 ChimeraX-Centroids: 1.3.2 ChimeraX-ChangeChains: 1.0.2 ChimeraX-CheckWaters: 1.3.1 ChimeraX-ChemGroup: 2.0.1 ChimeraX-Clashes: 2.2.4 ChimeraX-Clipper: 0.21.0 ChimeraX-ColorActions: 1.0.3 ChimeraX-ColorGlobe: 1.0 ChimeraX-ColorKey: 1.5.3 ChimeraX-CommandLine: 1.2.5 ChimeraX-ConnectStructure: 2.0.1 ChimeraX-Contacts: 1.0.1 ChimeraX-Core: 1.6.1 ChimeraX-CoreFormats: 1.1 ChimeraX-coulombic: 1.4.2 ChimeraX-Crosslinks: 1.0 ChimeraX-Crystal: 1.0 ChimeraX-CrystalContacts: 1.0.1 ChimeraX-DataFormats: 1.2.3 ChimeraX-Dicom: 1.2 ChimeraX-DistMonitor: 1.4 ChimeraX-DockPrep: 1.1.1 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: 1.1.1 ChimeraX-Hbonds: 2.4 ChimeraX-Help: 1.2.1 ChimeraX-HKCage: 1.3 ChimeraX-IHM: 1.1 ChimeraX-ImageFormats: 1.2 ChimeraX-IMOD: 1.0 ChimeraX-IO: 1.0.1 ChimeraX-ISOLDE: 1.6.0 ChimeraX-ItemsInspection: 1.0.1 ChimeraX-Label: 1.1.7 ChimeraX-ListInfo: 1.1.1 ChimeraX-Log: 1.1.5 ChimeraX-LookingGlass: 1.1 ChimeraX-Maestro: 1.8.2 ChimeraX-Map: 1.1.4 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: 2.0.12 ChimeraX-MDcrds: 2.6 ChimeraX-MedicalToolbar: 1.0.2 ChimeraX-Meeting: 1.0.1 ChimeraX-MLP: 1.1.1 ChimeraX-mmCIF: 2.12 ChimeraX-MMTF: 2.2 ChimeraX-Modeller: 1.5.9 ChimeraX-ModelPanel: 1.3.7 ChimeraX-ModelSeries: 1.0.1 ChimeraX-Mol2: 2.0 ChimeraX-Mole: 1.0 ChimeraX-Morph: 1.0.2 ChimeraX-MouseModes: 1.2 ChimeraX-Movie: 1.0 ChimeraX-Neuron: 1.0 ChimeraX-Nifti: 1.0 ChimeraX-NRRD: 1.0 ChimeraX-Nucleotides: 2.0.3 ChimeraX-OpenCommand: 1.10.1 ChimeraX-PDB: 2.7.2 ChimeraX-PDBBio: 1.0 ChimeraX-PDBLibrary: 1.0.2 ChimeraX-PDBMatrices: 1.0 ChimeraX-PickBlobs: 1.0.1 ChimeraX-Positions: 1.0 ChimeraX-PresetMgr: 1.1 ChimeraX-PubChem: 2.1 ChimeraX-ReadPbonds: 1.0.1 ChimeraX-Registration: 1.1.1 ChimeraX-RemoteControl: 1.0 ChimeraX-RenderByAttr: 1.1 ChimeraX-RenumberResidues: 1.1 ChimeraX-ResidueFit: 1.0.1 ChimeraX-RestServer: 1.1 ChimeraX-RNALayout: 1.0 ChimeraX-RotamerLibMgr: 3.0 ChimeraX-RotamerLibsDunbrack: 2.0 ChimeraX-RotamerLibsDynameomics: 2.0 ChimeraX-RotamerLibsRichardson: 2.0 ChimeraX-SaveCommand: 1.5.1 ChimeraX-SchemeMgr: 1.0 ChimeraX-SDF: 2.0.1 ChimeraX-Segger: 1.0 ChimeraX-Segment: 1.0.1 ChimeraX-SelInspector: 1.0 ChimeraX-SeqView: 2.8.3 ChimeraX-Shape: 1.0.1 ChimeraX-Shell: 1.0.1 ChimeraX-Shortcuts: 1.1.1 ChimeraX-ShowSequences: 1.0.1 ChimeraX-SideView: 1.0.1 ChimeraX-Smiles: 2.1 ChimeraX-SmoothLines: 1.0 ChimeraX-SpaceNavigator: 1.0 ChimeraX-StdCommands: 1.10.3 ChimeraX-STL: 1.0.1 ChimeraX-Storm: 1.0 ChimeraX-StructMeasure: 1.1.2 ChimeraX-Struts: 1.0.1 ChimeraX-Surface: 1.0.1 ChimeraX-SwapAA: 2.0.1 ChimeraX-SwapRes: 2.2.1 ChimeraX-TapeMeasure: 1.0 ChimeraX-Test: 1.0 ChimeraX-Toolbar: 1.1.2 ChimeraX-ToolshedUtils: 1.2.1 ChimeraX-Topography: 1.0 ChimeraX-Tug: 1.0.1 ChimeraX-UI: 1.28.4 ChimeraX-uniprot: 2.2.2 ChimeraX-UnitCell: 1.0.1 ChimeraX-ViewDockX: 1.2 ChimeraX-VIPERdb: 1.0 ChimeraX-Vive: 1.1 ChimeraX-VolumeMenu: 1.0.1 ChimeraX-VTK: 1.0 ChimeraX-WavefrontOBJ: 1.0 ChimeraX-WebCam: 1.0.2 ChimeraX-WebServices: 1.1.1 ChimeraX-Zone: 1.0.1 colorama: 0.4.6 comm: 0.1.3 comtypes: 1.1.14 contourpy: 1.0.7 cxservices: 1.2.2 cycler: 0.11.0 Cython: 0.29.33 debugpy: 1.6.7 decorator: 5.1.1 docutils: 0.19 executing: 1.2.0 filelock: 3.9.0 fonttools: 4.39.3 funcparserlib: 1.0.1 grako: 3.16.5 h5py: 3.8.0 html2text: 2020.1.16 idna: 3.4 ihm: 0.35 imagecodecs: 2022.9.26 imagesize: 1.4.1 importlib-metadata: 6.6.0 ipykernel: 6.21.1 ipython: 8.10.0 ipython-genutils: 0.2.0 ipywidgets: 8.0.6 jedi: 0.18.2 Jinja2: 3.1.2 jupyter-client: 8.0.2 jupyter-core: 5.3.0 jupyterlab-widgets: 3.0.7 kiwisolver: 1.4.4 line-profiler: 4.0.2 lxml: 4.9.2 lz4: 4.3.2 MarkupSafe: 2.1.2 matplotlib: 3.6.3 matplotlib-inline: 0.1.6 msgpack: 1.0.4 nest-asyncio: 1.5.6 netCDF4: 1.6.2 networkx: 2.8.8 nibabel: 5.0.1 nptyping: 2.5.0 numexpr: 2.8.4 numpy: 1.23.5 openvr: 1.23.701 packaging: 23.1 ParmEd: 3.4.3 parso: 0.8.3 pep517: 0.13.0 pickleshare: 0.7.5 Pillow: 9.3.0 pip: 23.0 pkginfo: 1.9.6 platformdirs: 3.5.0 prompt-toolkit: 3.0.38 psutil: 5.9.4 pure-eval: 0.2.2 pycollada: 0.7.2 pydicom: 2.3.0 Pygments: 2.14.0 pynrrd: 1.0.0 PyOpenGL: 3.1.5 PyOpenGL-accelerate: 3.1.5 pyparsing: 3.0.9 pyproject-hooks: 1.0.0 PyQt6-commercial: 6.4.2 PyQt6-Qt6: 6.4.3 PyQt6-sip: 13.4.1 PyQt6-WebEngine-commercial: 6.4.0 PyQt6-WebEngine-Qt6: 6.4.3 python-dateutil: 2.8.2 pytz: 2023.3 pywin32: 305 pyzmq: 25.0.2 qtconsole: 5.4.0 QtPy: 2.3.1 RandomWords: 0.4.0 requests: 2.28.2 scipy: 1.9.3 setuptools: 67.4.0 sfftk-rw: 0.7.3 six: 1.16.0 snowballstemmer: 2.2.0 sortedcontainers: 2.4.0 soupsieve: 2.4.1 sphinx: 6.1.3 sphinx-autodoc-typehints: 1.22 sphinxcontrib-applehelp: 1.0.4 sphinxcontrib-blockdiag: 3.0.0 sphinxcontrib-devhelp: 1.0.2 sphinxcontrib-htmlhelp: 2.0.1 sphinxcontrib-jsmath: 1.0.1 sphinxcontrib-qthelp: 1.0.3 sphinxcontrib-serializinghtml: 1.1.5 stack-data: 0.6.2 tables: 3.7.0 tcia-utils: 1.2.0 tifffile: 2022.10.10 tinyarray: 1.2.4 tomli: 2.0.1 tornado: 6.3.1 traitlets: 5.9.0 typing-extensions: 4.5.0 tzdata: 2023.3 urllib3: 1.26.15 wcwidth: 0.2.6 webcolors: 1.12 wheel: 0.38.4 wheel-filename: 1.4.1 widgetsnbextension: 4.0.7 WMI: 1.5.1 zipp: 3.15.0
Change History (1)
comment:1 by , 2 years ago
Component: | Unassigned → Third Party |
---|---|
Owner: | set to |
Platform: | → all |
Project: | → ChimeraX |
Status: | new → assigned |
Summary: | ChimeraX bug report submission → ISOLDE start sim: OpenMMException: Error compiling kernel |
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Reported by Yasunori Saitoh