The following bug report has been submitted:
Platform: Windows-10-10.0.19043
ChimeraX Version: 1.3rc202112040407 (2021-12-04 04:07:47 UTC)
Description
Last time you used ChimeraX it crashed.
Please describe steps that led to the crash here.
Fatal Python error: Aborted
Thread 0x0000127c (most recent call first):
File "C:\Program Files\ChimeraX 1.3rc202112040407\bin\lib\threading.py", line 316 in wait
File "C:\Program Files\ChimeraX 1.3rc202112040407\bin\lib\threading.py", line 574 in wait
File "C:\Program Files\ChimeraX 1.3rc202112040407\bin\lib\threading.py", line 1284 in run
File "C:\Program Files\ChimeraX 1.3rc202112040407\bin\lib\threading.py", line 973 in _bootstrap_inner
File "C:\Program Files\ChimeraX 1.3rc202112040407\bin\lib\threading.py", line 930 in _bootstrap
Current thread 0x00002958 (most recent call first):
File "C:\Program Files\ChimeraX 1.3rc202112040407\bin\lib\site-packages\chimerax\ui\gui.py", line 301 in event_loop
File "C:\Program Files\ChimeraX 1.3rc202112040407\bin\lib\site-packages\ChimeraX_main.py", line 867 in init
File "C:\Program Files\ChimeraX 1.3rc202112040407\bin\lib\site-packages\ChimeraX_main.py", line 1018 in
File "C:\Program Files\ChimeraX 1.3rc202112040407\bin\lib\runpy.py", line 87 in _run_code
File "C:\Program Files\ChimeraX 1.3rc202112040407\bin\lib\runpy.py", line 197 in _run_module_as_main
===== Log before crash start =====
UCSF ChimeraX version: 1.3rc202112040407 (2021-12-04)
© 2016-2021 Regents of the University of California. All rights reserved.
How to cite UCSF ChimeraX
> cd d:
Current working directory is: D:\
> cd gurlab/
Current working directory is: D:\gurlab
> cd covid
Current working directory is: D:\gurlab\covid
> ls
Unknown command: ls
> cd nanobody
Current working directory is: D:\gurlab\covid\nanobody
> open spike_deneme_son.pdb
Summary of feedback from opening spike_deneme_son.pdb
---
warning | Ignored bad PDB record found on line 1
REMARK original generated coordinate pdb file
Chain information for spike_deneme_son.pdb #1
---
Chain | Description
A B C | No description available
> open 7vne
Summary of feedback from opening 7vne fetched from pdb
---
note | Fetching compressed mmCIF 7vne from
http://files.rcsb.org/download/7vne.cif
7vne title:
Structure of the SARS-CoV-2 spike glycoprotein in complex with a human single
domain antibody n3113.1 (UUU-state) [more info...]
Chain information for 7vne #2
---
Chain | Description | UniProt
A B C | Spike glycoprotein | SPIKE_SARS2
U V W | n3113.1 |
Non-standard residues in 7vne #2
---
NAG — 2-acetamido-2-deoxy-beta-D-glucopyranose (N-acetyl-beta-D-glucosamine;
2-acetamido-2-deoxy-beta-D-glucose; 2-acetamido-2-deoxy-D-glucose;
2-acetamido-2-deoxy-glucose; N-ACETYL-D-GLUCOSAMINE)
> ui tool show Matchmaker
> matchmaker #1 to #2/A pairing bs
Parameters
---
Chain pairing | bs
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker 7vne, chain A (#2) with spike_deneme_son.pdb, chain B (#1),
sequence alignment score = 5495.6
RMSD between 708 pruned atom pairs is 1.068 angstroms; (across all 1070 pairs:
3.662)
> close #2
> open 7vnb
Summary of feedback from opening 7vnb fetched from pdb
---
note | Fetching compressed mmCIF 7vnb from
http://files.rcsb.org/download/7vnb.cif
7vnb title:
Crystal structure of the SARS-CoV-2 RBD in complex with a human single domain
antibody n3113 [more info...]
Chain information for 7vnb #2
---
Chain | Description | UniProt
A | n3113 |
B | Spike protein S1 | SPIKE_SARS2
Non-standard residues in 7vnb #2
---
NAG — 2-acetamido-2-deoxy-beta-D-glucopyranose (N-acetyl-beta-D-glucosamine;
2-acetamido-2-deoxy-beta-D-glucose; 2-acetamido-2-deoxy-D-glucose;
2-acetamido-2-deoxy-glucose; N-ACETYL-D-GLUCOSAMINE)
> ui tool show Matchmaker
> matchmaker #1 to #2/B pairing bs
Parameters
---
Chain pairing | bs
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker 7vnb, chain B (#2) with spike_deneme_son.pdb, chain A (#1),
sequence alignment score = 1020.5
RMSD between 168 pruned atom pairs is 0.751 angstroms; (across all 210 pairs:
7.020)
> close #2
> open 7p77
Summary of feedback from opening 7p77 fetched from pdb
---
notes | Fetching compressed mmCIF 7p77 from
http://files.rcsb.org/download/7p77.cif
Fetching CCD BMA from http://ligand-expo.rcsb.org/reports/B/BMA/BMA.cif
7p77 title:
SARS-CoV-2 spike protein in complex with sybody#15 and sybody#68 in a 3up
conformation [more info...]
Chain information for 7p77 #2
---
Chain | Description | UniProt
A D H | sybody#15 |
B C E | Spike glycoprotein | SPIKE_SARS2
W X Y | sybody#68 |
Non-standard residues in 7p77 #2
---
BMA — beta-D-mannopyranose (beta-D-mannose; D-mannose; mannose)
NAG — 2-acetamido-2-deoxy-beta-D-glucopyranose (N-acetyl-beta-D-glucosamine;
2-acetamido-2-deoxy-beta-D-glucose; 2-acetamido-2-deoxy-D-glucose;
2-acetamido-2-deoxy-glucose; N-ACETYL-D-GLUCOSAMINE)
> ui tool show "Modeller Comparative"
> ui tool show Matchmaker
> matchmaker #1 to #2/B pairing bs
Parameters
---
Chain pairing | bs
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker 7p77, chain B (#2) with spike_deneme_son.pdb, chain A (#1),
sequence alignment score = 5507.4
RMSD between 461 pruned atom pairs is 0.691 angstroms; (across all 1036 pairs:
13.648)
> close #2
> open 7olz
Summary of feedback from opening 7olz fetched from pdb
---
notes | Fetching compressed mmCIF 7olz from
http://files.rcsb.org/download/7olz.cif
Fetching CCD DMX from http://ligand-expo.rcsb.org/reports/D/DMX/DMX.cif
Fetching CCD SO4 from http://ligand-expo.rcsb.org/reports/S/SO4/SO4.cif
7olz title:
Crystal structure of the SARS-CoV-2 RBD with neutralizing-VHHs Re5D06 and
Re9F06 [more info...]
Chain information for 7olz #2
---
Chain | Description | UniProt
A | Spike protein S1 | SPIKE_SARS2
B | Nanobody Re9F06 |
C | Nanobody Re5D06 |
Non-standard residues in 7olz #2
---
DMX — 3-[benzyl(dimethyl)ammonio]propane-1-sulfonate
SO4 — sulfate ion
> ui tool show Matchmaker
> matchmaker #1 to #2/A pairing bs
Parameters
---
Chain pairing | bs
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker 7olz, chain A (#2) with spike_deneme_son.pdb, chain A (#1),
sequence alignment score = 922.3
RMSD between 137 pruned atom pairs is 0.743 angstroms; (across all 171 pairs:
3.712)
> close #2
> open 7oap
Summary of feedback from opening 7oap fetched from pdb
---
notes | Fetching compressed mmCIF 7oap from
http://files.rcsb.org/download/7oap.cif
Fetching CCD CIT from http://ligand-expo.rcsb.org/reports/C/CIT/CIT.cif
Fetching CCD CL from http://ligand-expo.rcsb.org/reports/C/CL/CL.cif
7oap title:
Nanobody H3 AND C1 bound to RBD [more info...]
Chain information for 7oap #2
---
Chain | Description | UniProt
AAA | C1 nanobody |
EEE | Spike protein S1 | SPIKE_SARS2
FFF | H3 nanobody |
Non-standard residues in 7oap #2
---
CIT — citric acid
CL — chloride ion
NAG — 2-acetamido-2-deoxy-beta-D-glucopyranose (N-acetyl-beta-D-glucosamine;
2-acetamido-2-deoxy-beta-D-glucose; 2-acetamido-2-deoxy-D-glucose;
2-acetamido-2-deoxy-glucose; N-ACETYL-D-GLUCOSAMINE)
> ui tool show Matchmaker
> matchmaker #1 to #2/EEE pairing bs
Parameters
---
Chain pairing | bs
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker 7oap, chain EEE (#2) with spike_deneme_son.pdb, chain A (#1),
sequence alignment score = 971.4
RMSD between 162 pruned atom pairs is 0.804 angstroms; (across all 197 pairs:
3.682)
> close #2
> open 7oan
Summary of feedback from opening 7oan fetched from pdb
---
note | Fetching compressed mmCIF 7oan from
http://files.rcsb.org/download/7oan.cif
7oan title:
Nanobody C5 bound to Spike [more info...]
Non-standard residues in 7oan #2
---
NAG — 2-acetamido-2-deoxy-beta-D-glucopyranose (N-acetyl-beta-D-glucosamine;
2-acetamido-2-deoxy-beta-D-glucose; 2-acetamido-2-deoxy-D-glucose;
2-acetamido-2-deoxy-glucose; N-ACETYL-D-GLUCOSAMINE)
> ui tool show Matchmaker
> matchmaker #1 to #2/B pairing bs
Parameters
---
Chain pairing | bs
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker 7oan, chain B (#2) with spike_deneme_son.pdb, chain A (#1),
sequence alignment score = 5654.6
RMSD between 569 pruned atom pairs is 0.760 angstroms; (across all 1049 pairs:
3.488)
> close #2
> open 7nkt
Summary of feedback from opening 7nkt fetched from pdb
---
notes | Fetching compressed mmCIF 7nkt from
http://files.rcsb.org/download/7nkt.cif
Fetching CCD PO4 from http://ligand-expo.rcsb.org/reports/P/PO4/PO4.cif
Fetching CCD PEG from http://ligand-expo.rcsb.org/reports/P/PEG/PEG.cif
7nkt title:
RBD domain of SARS-CoV2 in complex with neutralizing nanobody NM1226 [more
info...]
Chain information for 7nkt #2
---
Chain | Description | UniProt
AAA | Spike protein S1 | SPIKE_SARS2
BBB | neutralizing nanobody NM1226 |
Non-standard residues in 7nkt #2
---
NAG — 2-acetamido-2-deoxy-beta-D-glucopyranose (N-acetyl-beta-D-glucosamine;
2-acetamido-2-deoxy-beta-D-glucose; 2-acetamido-2-deoxy-D-glucose;
2-acetamido-2-deoxy-glucose; N-ACETYL-D-GLUCOSAMINE)
PEG — di(hydroxyethyl)ether
PO4 — phosphate ion
> ui tool show Matchmaker
> matchmaker #1 to #2/AAA pairing bs
Parameters
---
Chain pairing | bs
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker 7nkt, chain AAA (#2) with spike_deneme_son.pdb, chain A (#1),
sequence alignment score = 1048.4
RMSD between 176 pruned atom pairs is 0.749 angstroms; (across all 196 pairs:
3.482)
===== Log before crash end =====
Log:
UCSF ChimeraX version: 1.3rc202112040407 (2021-12-04)
© 2016-2021 Regents of the University of California. All rights reserved.
How to cite UCSF ChimeraX
OpenGL version: 3.3.0 NVIDIA 445.87
OpenGL renderer: GeForce 840M/PCIe/SSE2
OpenGL vendor: NVIDIA Corporation
Manufacturer: ASUSTeK COMPUTER INC.
Model: X555LN
OS: Microsoft Windows 10 Home Single Language (Build 19043)
Memory: 8,467,636,224
MaxProcessMemory: 137,438,953,344
CPU: 4 Intel(R) Core(TM) i5-4210U CPU @ 1.70GHz
OSLanguage: tr-TR
Locale: ('tr_TR', 'cp1254')
PyQt5 5.15.2, Qt 5.15.2
Installed Packages:
alabaster: 0.7.12
appdirs: 1.4.4
Babel: 2.9.1
backcall: 0.2.0
blockdiag: 2.0.1
certifi: 2021.10.8
cftime: 1.5.1.1
charset-normalizer: 2.0.9
ChimeraX-AddCharge: 1.2.2
ChimeraX-AddH: 2.1.11
ChimeraX-AlignmentAlgorithms: 2.0
ChimeraX-AlignmentHdrs: 3.2
ChimeraX-AlignmentMatrices: 2.0
ChimeraX-Alignments: 2.2.3
ChimeraX-AlphaFold: 1.0
ChimeraX-AltlocExplorer: 1.0.1
ChimeraX-AmberInfo: 1.0
ChimeraX-Arrays: 1.0
ChimeraX-Atomic: 1.31
ChimeraX-AtomicLibrary: 4.2
ChimeraX-AtomSearch: 2.0
ChimeraX-AtomSearchLibrary: 1.0
ChimeraX-AxesPlanes: 2.0
ChimeraX-BasicActions: 1.1
ChimeraX-BILD: 1.0
ChimeraX-BlastProtein: 2.0
ChimeraX-BondRot: 2.0
ChimeraX-BugReporter: 1.0
ChimeraX-BuildStructure: 2.6.1
ChimeraX-Bumps: 1.0
ChimeraX-BundleBuilder: 1.1
ChimeraX-ButtonPanel: 1.0
ChimeraX-CageBuilder: 1.0
ChimeraX-CellPack: 1.0
ChimeraX-Centroids: 1.2
ChimeraX-ChemGroup: 2.0
ChimeraX-Clashes: 2.2.2
ChimeraX-ColorActions: 1.0
ChimeraX-ColorGlobe: 1.0
ChimeraX-ColorKey: 1.5
ChimeraX-CommandLine: 1.1.5
ChimeraX-ConnectStructure: 2.0
ChimeraX-Contacts: 1.0
ChimeraX-Core: 1.3rc202112040407
ChimeraX-CoreFormats: 1.1
ChimeraX-coulombic: 1.3.2
ChimeraX-Crosslinks: 1.0
ChimeraX-Crystal: 1.0
ChimeraX-CrystalContacts: 1.0
ChimeraX-DataFormats: 1.2.2
ChimeraX-Dicom: 1.0
ChimeraX-DistMonitor: 1.1.5
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: 1.1
ChimeraX-Hbonds: 2.1.2
ChimeraX-Help: 1.2
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
ChimeraX-Label: 1.1
ChimeraX-ListInfo: 1.1.1
ChimeraX-Log: 1.1.4
ChimeraX-LookingGlass: 1.1
ChimeraX-Maestro: 1.8.1
ChimeraX-Map: 1.1
ChimeraX-MapData: 2.0
ChimeraX-MapEraser: 1.0
ChimeraX-MapFilter: 2.0
ChimeraX-MapFit: 2.0
ChimeraX-MapSeries: 2.1
ChimeraX-Markers: 1.0
ChimeraX-Mask: 1.0
ChimeraX-MatchMaker: 2.0.4
ChimeraX-MDcrds: 2.6
ChimeraX-MedicalToolbar: 1.0.1
ChimeraX-Meeting: 1.0
ChimeraX-MLP: 1.1
ChimeraX-mmCIF: 2.4
ChimeraX-MMTF: 2.1
ChimeraX-Modeller: 1.2.6
ChimeraX-ModelPanel: 1.2.1
ChimeraX-ModelSeries: 1.0
ChimeraX-Mol2: 2.0
ChimeraX-Morph: 1.0
ChimeraX-MouseModes: 1.1
ChimeraX-Movie: 1.0
ChimeraX-Neuron: 1.0
ChimeraX-Nucleotides: 2.0.2
ChimeraX-OpenCommand: 1.7
ChimeraX-PDB: 2.6.5
ChimeraX-PDBBio: 1.0
ChimeraX-PDBLibrary: 1.0.2
ChimeraX-PDBMatrices: 1.0
ChimeraX-PickBlobs: 1.0
ChimeraX-Positions: 1.0
ChimeraX-PresetMgr: 1.0.1
ChimeraX-PubChem: 2.1
ChimeraX-ReadPbonds: 1.0.1
ChimeraX-Registration: 1.1
ChimeraX-RemoteControl: 1.0
ChimeraX-ResidueFit: 1.0
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
ChimeraX-SchemeMgr: 1.0
ChimeraX-SDF: 2.0
ChimeraX-Segger: 1.0
ChimeraX-Segment: 1.0
ChimeraX-SelInspector: 1.0
ChimeraX-SeqView: 2.4.6
ChimeraX-Shape: 1.0.1
ChimeraX-Shell: 1.0
ChimeraX-Shortcuts: 1.1
ChimeraX-ShowAttr: 1.0
ChimeraX-ShowSequences: 1.0
ChimeraX-SideView: 1.0
ChimeraX-Smiles: 2.1
ChimeraX-SmoothLines: 1.0
ChimeraX-SpaceNavigator: 1.0
ChimeraX-StdCommands: 1.6.1
ChimeraX-STL: 1.0
ChimeraX-Storm: 1.0
ChimeraX-Struts: 1.0
ChimeraX-Surface: 1.0
ChimeraX-SwapAA: 2.0
ChimeraX-SwapRes: 2.1
ChimeraX-TapeMeasure: 1.0
ChimeraX-Test: 1.0
ChimeraX-Toolbar: 1.1
ChimeraX-ToolshedUtils: 1.2
ChimeraX-Tug: 1.0
ChimeraX-UI: 1.13.7
ChimeraX-uniprot: 2.2
ChimeraX-UnitCell: 1.0
ChimeraX-ViewDockX: 1.0.1
ChimeraX-VIPERdb: 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: 0.4.4
comtypes: 1.1.10
cxservices: 1.1
cycler: 0.11.0
Cython: 0.29.24
decorator: 5.1.0
docutils: 0.17.1
filelock: 3.0.12
funcparserlib: 0.3.6
grako: 3.16.5
h5py: 3.6.0
html2text: 2020.1.16
idna: 3.3
ihm: 0.21
imagecodecs: 2021.4.28
imagesize: 1.3.0
ipykernel: 5.5.5
ipython: 7.23.1
ipython-genutils: 0.2.0
jedi: 0.18.0
Jinja2: 3.0.1
jupyter-client: 6.1.12
jupyter-core: 4.9.1
kiwisolver: 1.3.2
lxml: 4.6.3
lz4: 3.1.3
MarkupSafe: 2.0.1
matplotlib: 3.4.3
matplotlib-inline: 0.1.3
msgpack: 1.0.2
netCDF4: 1.5.7
networkx: 2.6.3
numexpr: 2.8.0
numpy: 1.21.2
openvr: 1.16.801
packaging: 21.3
ParmEd: 3.2.0
parso: 0.8.3
pickleshare: 0.7.5
Pillow: 8.3.2
pip: 21.2.4
pkginfo: 1.7.1
prompt-toolkit: 3.0.23
psutil: 5.8.0
pycollada: 0.7.1
pydicom: 2.1.2
Pygments: 2.10.0
PyOpenGL: 3.1.5
PyOpenGL-accelerate: 3.1.5
pyparsing: 3.0.6
PyQt5-commercial: 5.15.2
PyQt5-sip: 12.8.1
PyQtWebEngine-commercial: 5.15.2
python-dateutil: 2.8.2
pytz: 2021.3
pywin32: 228
pyzmq: 22.3.0
qtconsole: 5.1.1
QtPy: 1.11.3
RandomWords: 0.3.0
requests: 2.26.0
scipy: 1.7.1
setuptools: 57.5.0
sfftk-rw: 0.7.1
six: 1.16.0
snowballstemmer: 2.2.0
sortedcontainers: 2.4.0
Sphinx: 4.2.0
sphinx-autodoc-typehints: 1.12.0
sphinxcontrib-applehelp: 1.0.2
sphinxcontrib-blockdiag: 2.0.0
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
suds-jurko: 0.6
tables: 3.6.1
tifffile: 2021.4.8
tinyarray: 1.2.3
tornado: 6.1
traitlets: 5.1.1
urllib3: 1.26.7
wcwidth: 0.2.5
webcolors: 1.11.1
wheel: 0.37.0
wheel-filename: 1.3.0
WMI: 1.5.1
Seems odd how often MatchMaker is the last logged command in these event loop crashes.