The following bug report has been submitted:
Platform: Windows-10-10.0.22621
ChimeraX Version: 1.5rc202210140205 (2022-10-14 02:05:18 UTC)
Description
(Describe the actions that caused this problem to occur here)
Log:
UCSF ChimeraX version: 1.5rc202210140205 (2022-10-14)
© 2016-2022 Regents of the University of California. All rights reserved.
How to cite UCSF ChimeraX
> open "E:\BUMPY\Molecular Docking and Dynamics\ChimeraX\5z62.pdb" format pdb
5z62.pdb title:
Structure of human cytochrome C oxidase [more info...]
Chain information for 5z62.pdb #1
---
Chain | Description | UniProt
A | cytochrome C oxidase polypeptide I | COX1_HUMAN
B | cytochrome C oxidase polypeptide II | COX2_HUMAN
C | cytochrome C oxidase polypeptide III | COX3_HUMAN
D | cytochrome C oxidase subunit 4 isoform 1, mitochondrial | COX41_HUMAN
E | cytochrome C oxidase polypeptide VA | COX5A_HUMAN
F | cytochrome C oxidase polypeptide VB | COX5B_HUMAN
G | cytochrome C oxidase subunit 6A1, mitochondrial | CX6A1_HUMAN
H | cytochrome C oxidase subunit 6B1 | CX6B1_HUMAN
I | cytochrome C oxidase polypeptide VIC | COX6C_HUMAN
J | cytochrome C oxidase subunit 7A2, mitochondrial | CX7A2_HUMAN
K | cytochrome C oxidase polypeptide VIIB | COX7B_HUMAN
L | cytochrome C oxidase polypeptide VIIC | COX7C_HUMAN
M | cytochrome C oxidase subunit 8A, mitochondrial | COX8A_HUMAN
N | cytochrome C oxidase subunit NDUFA4 | NDUA4_HUMAN
Non-standard residues in 5z62.pdb #1
---
CDL — cardiolipin (diphosphatidyl glycerol; bis-(1,2-diacyl-Sn-
glycero-3-phospho)-1',3'-Sn-glycerol)
CU — copper (II) ion
HEA — heme-A
MG — magnesium ion
PEE — 1,2-dioleoyl-Sn-glycero-3-phosphoethanolamine (DOPE)
ZN — zinc ion
> style stick
Changed 15037 atom styles
> style ball
Changed 15037 atom styles
> style sphere
Changed 15037 atom styles
> hide atoms
> hide cartoons
> style sphere
Changed 15037 atom styles
> show cartoons
> style sphere
Changed 15037 atom styles
> show atoms
> hide atoms
> select /A:192
5 atoms, 4 bonds, 1 residue, 1 model selected
> hide sel atoms
> hide sel cartoons
[Repeated 2 time(s)]
> show sel atoms
> style sel stick
Changed 5 atom styles
> style sel sphere
Changed 5 atom styles
> hide sel cartoons
> hide sel atoms
[Repeated 1 time(s)]
> style sel sphere
Changed 5 atom styles
> style sel sphere
Changed 5 atom styles
> style sel stick
Changed 5 atom styles
> view sel
[Repeated 1 time(s)]
> close session
> open "E:\BUMPY\Molecular Docking and Dynamics\ChimeraX\5z62.pdb" format pdb
5z62.pdb title:
Structure of human cytochrome C oxidase [more info...]
Chain information for 5z62.pdb #1
---
Chain | Description | UniProt
A | cytochrome C oxidase polypeptide I | COX1_HUMAN
B | cytochrome C oxidase polypeptide II | COX2_HUMAN
C | cytochrome C oxidase polypeptide III | COX3_HUMAN
D | cytochrome C oxidase subunit 4 isoform 1, mitochondrial | COX41_HUMAN
E | cytochrome C oxidase polypeptide VA | COX5A_HUMAN
F | cytochrome C oxidase polypeptide VB | COX5B_HUMAN
G | cytochrome C oxidase subunit 6A1, mitochondrial | CX6A1_HUMAN
H | cytochrome C oxidase subunit 6B1 | CX6B1_HUMAN
I | cytochrome C oxidase polypeptide VIC | COX6C_HUMAN
J | cytochrome C oxidase subunit 7A2, mitochondrial | CX7A2_HUMAN
K | cytochrome C oxidase polypeptide VIIB | COX7B_HUMAN
L | cytochrome C oxidase polypeptide VIIC | COX7C_HUMAN
M | cytochrome C oxidase subunit 8A, mitochondrial | COX8A_HUMAN
N | cytochrome C oxidase subunit NDUFA4 | NDUA4_HUMAN
Non-standard residues in 5z62.pdb #1
---
CDL — cardiolipin (diphosphatidyl glycerol; bis-(1,2-diacyl-Sn-
glycero-3-phospho)-1',3'-Sn-glycerol)
CU — copper (II) ion
HEA — heme-A
MG — magnesium ion
PEE — 1,2-dioleoyl-Sn-glycero-3-phosphoethanolamine (DOPE)
ZN — zinc ion
> hide cartoons
> hide atoms
> hide surfaces
> style stick
Changed 15037 atom styles
> hide surfaces
[Repeated 1 time(s)]
> show surfaces
[Repeated 1 time(s)]
> hide surfaces
> show cartoons
> hide cartoons
> show atoms
> hide cartoons
> hide surfaces
> hide cartoons
> hide atoms
> hide cartoons
> hide surfaces
> show atoms
> style stick
Changed 15037 atom styles
> style sphere
Changed 15037 atom styles
> nucleotides atoms
> style nucleic stick
Changed 0 atom styles
> nucleotides fill
> style nucleic stick
Changed 0 atom styles
> style stick
Changed 15037 atom styles
> style stick
Changed 15037 atom styles
> nucleotides tube/slab shape box
> nucleotides atoms
> style nucleic stick
Changed 0 atom styles
> select /A
4201 atoms, 4345 bonds, 15 pseudobonds, 518 residues, 2 models selected
> select C
9913 atoms, 8082 bonds, 1861 residues, 1 model selected
> hide sel surfaces
> hide sel cartoons
> hide sel atoms
> close session
> open "E:\BUMPY\Molecular Docking and Dynamics\ChimeraX\1uz9.pdb" format pdb
1uz9.pdb title:
Crystallographic and solution studies of N-lithocholyl insulin: A new
generation of prolonged-acting insulins. [more info...]
Chain information for 1uz9.pdb #1
---
Chain | Description | UniProt
A | insulin | INS_HUMAN
B | insulin | INS_HUMAN
Non-standard residues in 1uz9.pdb #1
---
CL — chloride ion
CRS — M-cresol
UZ9 —
(2S)-2-amino-6-({(4R)-4-[(10R,13S)-10,13-dimethyl-3-oxohexadecahydro-1H-cyclopenta[A]phenanthren-17-yl]pentanoyl}amino)hexanoicacid
ZN — zinc ion
> show atoms
> show cartoons
> show surfaces
[Repeated 1 time(s)]
> hide surfaces
> mlp
Map values for surface "1uz9.pdb_A SES surface": minimum -24.48, mean -4.085,
maximum 19.86
Map values for surface "1uz9.pdb_B SES surface": minimum -23.88, mean -0.855,
maximum 21.86
To also show corresponding color key, enter the above mlp command and add key
true
> mlp
Map values for surface "1uz9.pdb_A SES surface": minimum -24.48, mean -4.085,
maximum 19.86
Map values for surface "1uz9.pdb_B SES surface": minimum -23.88, mean -0.855,
maximum 21.86
To also show corresponding color key, enter the above mlp command and add key
true
> undo
[Repeated 2 time(s)]
> hide surfaces
> style sphere
Changed 484 atom styles
> style sphere
Changed 484 atom styles
> style stick
Changed 484 atom styles
> hbonds reveal true
154 hydrogen bonds found
> ~hbonds
Alignment identifier is 1/A
Alignment identifier is 1/B
> interfaces ~solvent
1 buried areas: B A 632
> close session
> open "E:/BUMPY/Molecular Docking and Dynamics/ChimeraX/7df4.pdb"
7df4.pdb title:
Sars-cov-2 S-ACE2 complex [more info...]
Chain information for 7df4.pdb #1
---
Chain | Description | UniProt
A | angiotensin-converting enzyme 2 | ACE2_HUMAN
B C D | spike glycoprotein | SPIKE_SARS2
Non-standard residues in 7df4.pdb #1
---
NAG — 2-acetamido-2-deoxy-β-D-glucopyranose (N-acetyl-β-D-glucosamine;
2-acetamido-2-deoxy-β-D-glucose; 2-acetamido-2-deoxy-D-glucose;
2-acetamido-2-deoxy-glucose; N-acetyl-D-glucosamine)
> style sphere
Changed 30920 atom styles
> ui tool show ViewDockX
No suitable models found for ViewDockX
> ui tool show "DICOM Browser"
Traceback (most recent call last):
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\core\toolshed\info.py", line 560, in start_tool
ti = api._api_caller.start_tool(api, session, self, tool_info)
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\core\toolshed\\__init__.py", line 1269, in start_tool
return cls._get_func(api, "start_tool")(session, ti.name)
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\core\toolshed\\__init__.py", line 1318, in _get_func
raise ToolshedError("bundle forgot to override %s method" % func_name)
chimerax.core.toolshed.ToolshedError: bundle forgot to override start_tool
method
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File "C:\Program Files\ChimeraX\bin\lib\site-packages\chimerax\ui\gui.py",
line 1660, in <lambda>
run(ses, "ui tool show %s" % StringArg.unparse(tool_name)))
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\core\commands\run.py", line 38, in run
results = command.run(text, log=log, return_json=return_json)
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:\Program Files\ChimeraX\bin\lib\site-packages\chimerax\ui\cmd.py",
line 219, in ui_tool_show
bi.start_tool(session, name)
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\core\toolshed\info.py", line 567, in start_tool
raise ToolshedError(
chimerax.core.toolshed.ToolshedError: start_tool() failed for tool DICOM
Browser in bundle ChimeraX-Dicom:
bundle forgot to override start_tool method
chimerax.core.toolshed.ToolshedError: start_tool() failed for tool DICOM
Browser in bundle ChimeraX-Dicom:
bundle forgot to override start_tool method
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\core\toolshed\info.py", line 567, in start_tool
raise ToolshedError(
See log for complete Python traceback.
OpenGL version: 3.3.0 NVIDIA 512.78
OpenGL renderer: NVIDIA GeForce RTX 3050 Laptop GPU/PCIe/SSE2
OpenGL vendor: NVIDIA Corporation
Python: 3.9.11
Locale: en_IN.cp1252
Qt version: PyQt6 6.3.1, Qt 6.3.1
Qt runtime version: 6.3.2
Qt platform: windows
Manufacturer: ASUSTeK COMPUTER INC.
Model: ASUS TUF Dash F15 FX516PC_FX516PCZ
OS: Microsoft Windows 11 Home Single Language (Build 22621)
Memory: 8,266,268,672
MaxProcessMemory: 137,438,953,344
CPU: 8 11th Gen Intel(R) Core(TM) i5-11300H @ 3.10GHz
OSLanguage: en-US
Installed Packages:
alabaster: 0.7.12
appdirs: 1.4.4
asttokens: 2.0.8
Babel: 2.10.3
backcall: 0.2.0
blockdiag: 3.0.0
build: 0.8.0
certifi: 2022.9.24
cftime: 1.6.2
charset-normalizer: 2.1.1
ChimeraX-AddCharge: 1.4
ChimeraX-AddH: 2.2
ChimeraX-AlignmentAlgorithms: 2.0
ChimeraX-AlignmentHdrs: 3.2.1
ChimeraX-AlignmentMatrices: 2.0
ChimeraX-Alignments: 2.6
ChimeraX-AlphaFold: 1.0
ChimeraX-AltlocExplorer: 1.0.3
ChimeraX-AmberInfo: 1.0
ChimeraX-Arrays: 1.0
ChimeraX-Atomic: 1.41.4
ChimeraX-AtomicLibrary: 8.0.2
ChimeraX-AtomSearch: 2.0.1
ChimeraX-AxesPlanes: 2.3
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: 2.7.1
ChimeraX-Bumps: 1.0
ChimeraX-BundleBuilder: 1.2
ChimeraX-ButtonPanel: 1.0.1
ChimeraX-CageBuilder: 1.0.1
ChimeraX-CellPack: 1.0
ChimeraX-Centroids: 1.3.1
ChimeraX-ChangeChains: 1.0.2
ChimeraX-CheckWaters: 1.3
ChimeraX-ChemGroup: 2.0
ChimeraX-Clashes: 2.2.4
ChimeraX-ColorActions: 1.0.3
ChimeraX-ColorGlobe: 1.0
ChimeraX-ColorKey: 1.5.2
ChimeraX-CommandLine: 1.2.4
ChimeraX-ConnectStructure: 2.0.1
ChimeraX-Contacts: 1.0.1
ChimeraX-Core: 1.5rc202210140205
ChimeraX-CoreFormats: 1.1
ChimeraX-coulombic: 1.3.2
ChimeraX-Crosslinks: 1.0
ChimeraX-Crystal: 1.0
ChimeraX-CrystalContacts: 1.0.1
ChimeraX-DataFormats: 1.2.2
ChimeraX-Dicom: 1.1
ChimeraX-DistMonitor: 1.3
ChimeraX-DockPrep: 1.0
ChimeraX-Dssp: 2.0
ChimeraX-EMDB-SFF: 1.0
ChimeraX-ExperimentalCommands: 1.0
ChimeraX-FileHistory: 1.0.1
ChimeraX-FunctionKey: 1.0.1
ChimeraX-Geometry: 1.2
ChimeraX-gltf: 1.0
ChimeraX-Graphics: 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-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: 1.1.1
ChimeraX-MapData: 2.0
ChimeraX-MapEraser: 1.0.1
ChimeraX-MapFilter: 2.0
ChimeraX-MapFit: 2.0
ChimeraX-MapSeries: 2.1.1
ChimeraX-Markers: 1.0.1
ChimeraX-Mask: 1.0.1
ChimeraX-MatchMaker: 2.0.9
ChimeraX-MDcrds: 2.6
ChimeraX-MedicalToolbar: 1.0.2
ChimeraX-Meeting: 1.0.1
ChimeraX-MLP: 1.1
ChimeraX-mmCIF: 2.8
ChimeraX-MMTF: 2.2
ChimeraX-Modeller: 1.5.6
ChimeraX-ModelPanel: 1.3.6
ChimeraX-ModelSeries: 1.0.1
ChimeraX-Mol2: 2.0
ChimeraX-Mole: 1.0
ChimeraX-Morph: 1.0.1
ChimeraX-MouseModes: 1.1.1
ChimeraX-Movie: 1.0
ChimeraX-Neuron: 1.0
ChimeraX-Nucleotides: 2.0.3
ChimeraX-OpenCommand: 1.9.1
ChimeraX-PDB: 2.6.8
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-RenumberResidues: 1.1
ChimeraX-ResidueFit: 1.0.1
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: 1.5.1
ChimeraX-SchemeMgr: 1.0
ChimeraX-SDF: 2.0
ChimeraX-Segger: 1.0
ChimeraX-Segment: 1.0
ChimeraX-SelInspector: 1.0
ChimeraX-SeqView: 2.7.2
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
ChimeraX-STL: 1.0
ChimeraX-Storm: 1.0
ChimeraX-StructMeasure: 1.1
ChimeraX-Struts: 1.0.1
ChimeraX-Surface: 1.0
ChimeraX-SwapAA: 2.0.1
ChimeraX-SwapRes: 2.1.3
ChimeraX-TapeMeasure: 1.0
ChimeraX-Test: 1.0
ChimeraX-Toolbar: 1.1.2
ChimeraX-ToolshedUtils: 1.2.1
ChimeraX-Tug: 1.0.1
ChimeraX-UI: 1.24.2
ChimeraX-uniprot: 2.2.1
ChimeraX-UnitCell: 1.0.1
ChimeraX-ViewDockX: 1.1.3
ChimeraX-VIPERdb: 1.0
ChimeraX-Vive: 1.1
ChimeraX-VolumeMenu: 1.0.1
ChimeraX-VTK: 1.0
ChimeraX-WavefrontOBJ: 1.0
ChimeraX-WebCam: 1.0.1
ChimeraX-WebServices: 1.1.0
ChimeraX-Zone: 1.0.1
colorama: 0.4.5
comtypes: 1.1.10
cxservices: 1.2
cycler: 0.11.0
Cython: 0.29.32
debugpy: 1.6.3
decorator: 5.1.1
docutils: 0.19
entrypoints: 0.4
executing: 1.1.1
filelock: 3.7.1
fonttools: 4.37.4
funcparserlib: 1.0.0
grako: 3.16.5
h5py: 3.7.0
html2text: 2020.1.16
idna: 3.4
ihm: 0.33
imagecodecs: 2022.7.31
imagesize: 1.4.1
importlib-metadata: 5.0.0
ipykernel: 6.15.3
ipython: 8.4.0
ipython-genutils: 0.2.0
jedi: 0.18.1
Jinja2: 3.1.2
jupyter-client: 7.3.4
jupyter-core: 4.11.1
kiwisolver: 1.4.4
line-profiler: 3.5.1
lxml: 4.9.1
lz4: 4.0.2
MarkupSafe: 2.1.1
matplotlib: 3.5.2
matplotlib-inline: 0.1.6
msgpack: 1.0.4
nest-asyncio: 1.5.6
netCDF4: 1.6.0
networkx: 2.8.5
numexpr: 2.8.3
numpy: 1.23.1
openvr: 1.23.701
packaging: 21.3
ParmEd: 3.4.3
parso: 0.8.3
pep517: 0.13.0
pickleshare: 0.7.5
Pillow: 9.2.0
pip: 22.2.2
pkginfo: 1.8.3
prompt-toolkit: 3.0.31
psutil: 5.9.1
pure-eval: 0.2.2
pycollada: 0.7.2
pydicom: 2.3.0
Pygments: 2.12.0
PyOpenGL: 3.1.5
PyOpenGL-accelerate: 3.1.5
pyparsing: 3.0.9
PyQt6-commercial: 6.3.1
PyQt6-Qt6: 6.3.2
PyQt6-sip: 13.4.0
PyQt6-WebEngine-commercial: 6.3.1
PyQt6-WebEngine-Qt6: 6.3.2
python-dateutil: 2.8.2
pytz: 2022.4
pywin32: 303
pyzmq: 24.0.1
qtconsole: 5.3.1
QtPy: 2.2.1
RandomWords: 0.4.0
requests: 2.28.1
scipy: 1.9.0
setuptools: 65.1.1
sfftk-rw: 0.7.2
six: 1.16.0
snowballstemmer: 2.2.0
sortedcontainers: 2.4.0
Sphinx: 5.1.1
sphinx-autodoc-typehints: 1.19.1
sphinxcontrib-applehelp: 1.0.2
sphinxcontrib-blockdiag: 3.0.0
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
stack-data: 0.5.1
tables: 3.7.0
tifffile: 2022.7.31
tinyarray: 1.2.4
tomli: 2.0.1
tornado: 6.2
traitlets: 5.3.0
urllib3: 1.26.12
wcwidth: 0.2.5
webcolors: 1.12
wheel: 0.37.1
wheel-filename: 1.4.1
WMI: 1.5.1
zipp: 3.9.0
start_tool has been implemented, so this ticket is superseded by #8015.