Opened 2 years ago
Closed 2 years ago
#9070 closed defect (fixed)
Blast: self.job.model_name is None
| Reported by: | Owned by: | Zach Pearson | |
|---|---|---|---|
| Priority: | normal | Milestone: | |
| Component: | Sequence | Version: | |
| Keywords: | Cc: | Tom Goddard | |
| 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:
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\JUAN\Downloads\robetta_models_521138.pdb format pdb
Summary of feedback from opening
C:\Users\JUAN\Downloads\robetta_models_521138.pdb
---
warnings | Ignored bad PDB record found on line 1
REMARK ID 521138 MODEL 1 GarvML
Ignored bad PDB record found on line 2
PFRMAT TS
Ignored bad PDB record found on line 3
TARGET GarvML
Ignored bad PDB record found on line 5
METHOD ROSETTA provides both ab initio and
Ignored bad PDB record found on line 6
METHOD comparative models of protein domains.
75 messages similar to the above omitted
Chain information for robetta_models_521138.pdb
---
Chain | Description
1.1/A 1.2/A 1.3/A 1.4/A 1.5/A | No description available
> hide #1.5 models
> hide #1.4 models
> hide #1.3 models
> hide #1.2 models
> set bgColor white
> ui tool show "Build Structure"
> select sidechain
3210 atoms, 2935 bonds, 300 residues, 5 models selected
> bond sel
Created 0 bonds
> bond sel
Created 0 bonds
> ~bond sel
[Repeated 1 time(s)]
> ui tool show "Build Structure"
FYI: command is replacing existing command: "build invert"
FYI: command is replacing existing command: "build join peptide"
FYI: command is replacing existing command: "build modify"
FYI: command is replacing existing command: "build start"
FYI: command is replacing existing command: "bond"
FYI: command is replacing existing command: "~bond"
FYI: command is replacing existing command: "bond length"
> build join peptide sel length 1.33 omega 180 phi -120 move small
No carbons named 'C' in specified atoms
> select ::name="ALA"
755 atoms, 320 bonds, 75 residues, 5 models selected
> select ligand
Nothing selected
> select sidechain
1205 atoms, 300 residues, 5 models selected
> select add #1
4425 atoms, 1510 bonds, 300 residues, 6 models selected
> select subtract #1
Nothing selected
> select add #1.1
885 atoms, 302 bonds, 60 residues, 1 model selected
> ui tool show AlphaFold
> alphafold predict #1.1
Please cite ColabFold: Making protein folding accessible to all. Nature
Methods (2022) if you use these predictions.
Running AlphaFold prediction
[Repeated 4 time(s)]
> matchmaker
Missing or invalid "matchAtoms" argument: empty atom specifier
AlphaFold prediction finished
Results in C:\Users\JUAN/Downloads/ChimeraX/AlphaFold/prediction_1
> open C:\Users\JUAN/Downloads/ChimeraX/AlphaFold/prediction_1\best_model.pdb
AlphaFold prediction matching robetta_models_521138.pdb #1.1/A
---
Chain| RMSD| Length| Seen| % Id
A | 3.13 | 65 | 60 | 25
> lighting simple
> graphics silhouettes true
> lighting simple
> view
> view sel
Fit in map shortcut requires 1 displayed atomic model and 1 map or two maps,
got 2 atomic models, 0 maps.
[Repeated 2 time(s)]
Volume zone shortcut requires 1 displayed atomic model and 1 map, got 2 atomic
models, 0 maps.
> ui mousemode right "link markers"
> hide #2 models
> ui tool show AlphaFold
> alphafold search #1.1
Fetching AlphaFold database settings from
https://www.rbvi.ucsf.edu/chimerax/data/status/alphafold_database3.json
Webservices job id: 2A3V5CSBGQ5ITY5C
> alphafold predict #1.1
Running AlphaFold prediction
Traceback (most recent call last):
File "C:\Program Files\ChimeraX\bin\lib\site-packages\chimerax\ui\gui.py",
line 665, in customEvent
func(*args, **kw)
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\blastprotein\job.py", line 97, in on_finish
BlastProteinResults.from_job(
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\blastprotein\ui\results.py", line 90, in from_job
return cls(
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\blastprotein\ui\results.py", line 86, in __init__
self._build_ui()
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\blastprotein\ui\results.py", line 229, in _build_ui
param_str = self._format_param_str()
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\blastprotein\ui\results.py", line 201, in _format_param_str
model_formatted = ''.join([self.job.model_name, chain])
TypeError: sequence item 0: expected str instance, NoneType found
TypeError: sequence item 0: expected str instance, NoneType found
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\blastprotein\ui\results.py", line 201, in _format_param_str
model_formatted = ''.join([self.job.model_name, chain])
See log for complete Python traceback.
AlphaFold prediction finished
Results in C:\Users\JUAN/Downloads/ChimeraX/AlphaFold/prediction_2
> open C:\Users\JUAN/Downloads/ChimeraX/AlphaFold/prediction_2\best_model.pdb
AlphaFold prediction matching robetta_models_521138.pdb #1.1/A
---
Chain| RMSD| Length| Seen| % Id
A | 18.41 | 60 | 60 | 100
> show #2 models
> hide #2 models
> hide #1.1 models
> hide #3 models
> show #2 models
> ui tool show "Build Structure"
> ui tool show "Show Sequence Viewer"
Alignment identifier is 1.1/A
> select subtract #1.1
Nothing selected
> hide #!1 models
> hide #2 models
> show #2 models
> hide #2 models
> show #3 models
> hide #3 models
> show #2 models
Alignment identifier is 1
Alignment identifier is 2/A
> bond sel
Must specify two or more atoms
> show #1.1 models
> open C:/Users/JUAN/Downloads/pdb1o83.ent
pdb1o83.ent title:
Crystal structure of bacteriocin As-48 At pH 7.5, phosphate bound. Crystal
form I [more info...]
Chain information for pdb1o83.ent #4
---
Chain | Description | UniProt
A B C D | bacteriocin As-48 | Q47765 1-70
Non-standard residues in pdb1o83.ent #4
---
GOL — glycerol (glycerin; propane-1,2,3-triol)
PO4 — phosphate ion
> hide #4 models
> hide #1.1 models
> show #3 models
> hide #2 models
> show #2 models
> hide #3 models
> mlp #2
Map values for surface "best_model.pdb_A SES surface": minimum -25.49, mean
-1.843, maximum 22.91
To also show corresponding color key, enter the above mlp command and add key
true
> coulombic #!2
Using Amber 20 recommended default charges and atom types for standard
residues
Coulombic values for best_model.pdb_A SES surface #2.1: minimum, -5.28, mean
2.99, maximum 16.48
To also show corresponding color key, enter the above coulombic command and
add key true
> coulombic #!2
Coulombic values for best_model.pdb_A SES surface #2.1: minimum, -5.28, mean
2.99, maximum 16.48
To also show corresponding color key, enter the above coulombic command and
add key true
> color #!2 bynucleotide
> undo
[Repeated 8 time(s)]
> ui tool show AlphaFold
> alphafold search #1.1
Webservices job id: 0YY1I30XR7683SLP
> alphafold predict #1.1
Running AlphaFold prediction
> alphafold predict #1.1
Running AlphaFold prediction
> alphafold predict #1.1
Running AlphaFold prediction
> alphafold search #1.1
Webservices job id: S5YXSQ5K6NQGSKM3
> alphafold predict #1.1
Running AlphaFold prediction
> alphafold search #1.1
Webservices job id: OJDB7DC0QBI31YVK
> alphafold predict #1.1
Running AlphaFold prediction
Traceback (most recent call last):
File "C:\Program Files\ChimeraX\bin\lib\site-packages\chimerax\ui\gui.py",
line 665, in customEvent
func(*args, **kw)
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\blastprotein\job.py", line 97, in on_finish
BlastProteinResults.from_job(
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\blastprotein\ui\results.py", line 90, in from_job
return cls(
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\blastprotein\ui\results.py", line 86, in __init__
self._build_ui()
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\blastprotein\ui\results.py", line 229, in _build_ui
param_str = self._format_param_str()
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\blastprotein\ui\results.py", line 201, in _format_param_str
model_formatted = ''.join([self.job.model_name, chain])
TypeError: sequence item 0: expected str instance, NoneType found
TypeError: sequence item 0: expected str instance, NoneType found
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\blastprotein\ui\results.py", line 201, in _format_param_str
model_formatted = ''.join([self.job.model_name, chain])
See log for complete Python traceback.
> alphafold predict #1.1
Running AlphaFold prediction
> alphafold search #1.1
Webservices job id: 7XR62WMRLKVU0PZJ
Traceback (most recent call last):
File "C:\Program Files\ChimeraX\bin\lib\site-packages\chimerax\ui\gui.py",
line 665, in customEvent
func(*args, **kw)
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\blastprotein\job.py", line 97, in on_finish
BlastProteinResults.from_job(
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\blastprotein\ui\results.py", line 90, in from_job
return cls(
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\blastprotein\ui\results.py", line 86, in __init__
self._build_ui()
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\blastprotein\ui\results.py", line 229, in _build_ui
param_str = self._format_param_str()
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\blastprotein\ui\results.py", line 201, in _format_param_str
model_formatted = ''.join([self.job.model_name, chain])
TypeError: sequence item 0: expected str instance, NoneType found
TypeError: sequence item 0: expected str instance, NoneType found
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\blastprotein\ui\results.py", line 201, in _format_param_str
model_formatted = ''.join([self.job.model_name, chain])
See log for complete Python traceback.
OpenGL version: 3.3.0 NVIDIA 456.71
OpenGL renderer: GeForce GT 710/PCIe/SSE2
OpenGL vendor: NVIDIA Corporation
Python: 3.9.11
Locale: es_ES.cp1252
Qt version: PyQt6 6.4.2, Qt 6.4.2
Qt runtime version: 6.4.3
Qt platform: windows
Manufacturer: System manufacturer
Model: System Product Name
OS: Microsoft Windows 10 Education (Build 19045)
Memory: 34,285,846,528
MaxProcessMemory: 137,438,953,344
CPU: 8 Intel(R) Core(TM) i7-9700KF CPU @ 3.60GHz
OSLanguage: es-ES
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-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-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 (2)
comment:1 by , 2 years ago
| Cc: | added |
|---|---|
| Component: | Unassigned → Sequence |
| Owner: | set to |
| Platform: | → all |
| Project: | → ChimeraX |
| Status: | new → assigned |
| Summary: | ChimeraX bug report submission → Blast: self.job.model_name is None |
comment:2 by , 2 years ago
| Resolution: | → fixed |
|---|---|
| Status: | assigned → closed |
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It's harmless if this line fails and the try... block around it reflects that; just needed to catch TypeError too. Should be fixed in tomorrow's build.