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