#4782 closed defect (fixed)
Modeller: 'target_name' referenced before assignment
Reported by: | Owned by: | pett | |
---|---|---|---|
Priority: | normal | Milestone: | |
Component: | Sequence | Version: | |
Keywords: | Cc: | ||
Blocked By: | Blocking: | ||
Notify when closed: | Platform: | all | |
Project: | ChimeraX |
Description
The following bug report has been submitted: Platform: macOS-10.16-x86_64-i386-64bit ChimeraX Version: 1.2.5 (2021-05-24 04:13:57 UTC) Description Since installing version 1.2.5, I have been unable to successfully invoke modeller. Open an accession from UniProt. Run blast. Load top hit and show alignment. Invoke modeller using alignment with query aligned to top hit: Log file: open A0A1D8PU02 format uniprot fromDatabase uniprot Summary of feedback from opening A0A1D8PU02 fetched from uniprot note Alignment identifier is A0A1D8PU02 Opened UniProt A0A1D8PU02 blastprotein A0A1D8PU02:1Web Service: BlastProtein2 is a Python wrapper that calls blastp to search nr or pdb for sequences similar to the given protein sequence Opal service URL: http://webservices.rbvi.ucsf.edu/opal2/services/BlastProtein2Service Opal job id: appBlastProtein2Service1623944771347941833351 Opal status URL prefix: http://webservices.rbvi.ucsf.edu/appBlastProtein2Service1623944771347941833351 stdout.txt = standard output stderr.txt = standard error BlastProtein finished. open pdb:3JCM3jcm title: Cryo-EM structure of the spliceosomal U4/U6.U5 tri-snRNP [more info...] Chain information for 3jcm #1 Chain Description A Pre-mRNA-splicing factor 8 B U4/U6 small nuclear ribonucleoprotein PRP4 C pre-mRNA D SNR6 snRNA E SNR14 snRNA F SNR7-L snRNA G Pre-mRNA-splicing factor 6 H Pre-mRNA-splicing factor SNU114 I Pre-mRNA-processing factor 31 J R Small nuclear ribonucleoprotein Sm D3 K U4/U6 small nuclear ribonucleoprotein PRP3 L Spliceosomal protein DIB1 M 13 kDa ribonucleoprotein-associated protein N Pre-mRNA-splicing helicase BRR2 O S Small nuclear ribonucleoprotein-associated protein B P T Small nuclear ribonucleoprotein Sm D1 Q U Small nuclear ribonucleoprotein Sm D2 V Y Small nuclear ribonucleoprotein E W Z Small nuclear ribonucleoprotein F X a Small nuclear ribonucleoprotein G b U6 snRNA-associated Sm-like protein LSm8 c U6 snRNA-associated Sm-like protein LSm2 d U6 snRNA-associated Sm-like protein LSm3 e U6 snRNA-associated Sm-like protein LSm6 f U6 snRNA-associated Sm-like protein LSm5 g U6 snRNA-associated Sm-like protein LSm7 h U6 snRNA-associated Sm-like protein LSm4 Non-standard residues in 3jcm #1 GTP — guanosine-5'-triphosphate M7M — N,N,7-trimethylguanosine 5'-(trihydrogen diphosphate) select clearAlignment identifier is bp1 [1] Associated 3jcm chain B to 3JCM_B with 0 mismatches Showing conservation header ("seq_conservation" residue attribute) for alignment bp1 [1] ui tool show "Modeller Comparative"<QNSWindow: 0x7f945e788800; contentView=<QNSView: 0x7f945e7891f0; QCocoaWindow(0x600002797700, window=QWidgetWindow(0x6000034eac40, name="AlignSeqMenuButtonClassWindow"))>> has active key-value observers (KVO)! These will stop working now that the window is recreated, and will result in exceptions when the observers are removed. Break in QCocoaWindow::recreateWindowIfNeeded to debug. <QNSWindow: 0x7f94ae47d310; contentView=<QNSView: 0x7f945ff20d20; QCocoaWindow(0x600002797700, window=QWidgetWindow(0x6000034eaee0, name="AlignSeqMenuButtonClassWindow"))>> has active key-value observers (KVO)! These will stop working now that the window is recreated, and will result in exceptions when the observers are removed. Break in QCocoaWindow::recreateWindowIfNeeded to debug. modeller comparative "bp1 [1]:2" multichain false numModels 5 fast false hetPreserve false hydrogens false tempPath /Users/blemire/Desktop/untitled_folder waterPreserve falseTraceback (most recent call last): File "/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-packages/chimerax/modeller/tool.py", line 140, in launch_modeller run(self.session, "modeller comparative %s multichain %s numModels %d fast %s hetPreserve %s" File "/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-packages/chimerax/core/commands/run.py", line 36, in run results = command.run(text, log=log, return_json=return_json) File "/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-packages/chimerax/core/commands/cli.py", line 2852, in run result = ci.function(session, **kw_args) File "/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-packages/chimerax/modeller/cmd.py", line 34, in sequence_model comparative.model(session, targets, block=block, multichain=multichain, File "/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-packages/chimerax/modeller/comparative.py", line 215, in model pir_target = Sequence(name=opal_safe_file_name(target_name)) UnboundLocalError: local variable 'target_name' referenced before assignment UnboundLocalError: local variable 'target_name' referenced before assignment File "/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-packages/chimerax/modeller/comparative.py", line 215, in model pir_target = Sequence(name=opal_safe_file_name(target_name)) See log for complete Python traceback. Log: UCSF ChimeraX version: 1.2.5 (2021-05-24) © 2016-2021 Regents of the University of California. All rights reserved. How to cite UCSF ChimeraX > open A0A1D8PU02 format uniprot fromDatabase uniprot Summary of feedback from opening A0A1D8PU02 fetched from uniprot --- note | Alignment identifier is A0A1D8PU02 Opened UniProt A0A1D8PU02 > blastprotein A0A1D8PU02:1 Web Service: BlastProtein2 is a Python wrapper that calls blastp to search nr or pdb for sequences similar to the given protein sequence Opal service URL: http://webservices.rbvi.ucsf.edu/opal2/services/BlastProtein2Service Opal job id: appBlastProtein2Service1623944771347941833351 Opal status URL prefix: http://webservices.rbvi.ucsf.edu/appBlastProtein2Service1623944771347941833351 stdout.txt = standard output stderr.txt = standard error BlastProtein finished. > open pdb:3JCM 3jcm title: Cryo-EM structure of the spliceosomal U4/U6.U5 tri-snRNP [more info...] Chain information for 3jcm #1 --- Chain | Description A | Pre-mRNA-splicing factor 8 B | U4/U6 small nuclear ribonucleoprotein PRP4 C | pre-mRNA D | SNR6 snRNA E | SNR14 snRNA F | SNR7-L snRNA G | Pre-mRNA-splicing factor 6 H | Pre-mRNA-splicing factor SNU114 I | Pre-mRNA-processing factor 31 J R | Small nuclear ribonucleoprotein Sm D3 K | U4/U6 small nuclear ribonucleoprotein PRP3 L | Spliceosomal protein DIB1 M | 13 kDa ribonucleoprotein-associated protein N | Pre-mRNA-splicing helicase BRR2 O S | Small nuclear ribonucleoprotein-associated protein B P T | Small nuclear ribonucleoprotein Sm D1 Q U | Small nuclear ribonucleoprotein Sm D2 V Y | Small nuclear ribonucleoprotein E W Z | Small nuclear ribonucleoprotein F X a | Small nuclear ribonucleoprotein G b | U6 snRNA-associated Sm-like protein LSm8 c | U6 snRNA-associated Sm-like protein LSm2 d | U6 snRNA-associated Sm-like protein LSm3 e | U6 snRNA-associated Sm-like protein LSm6 f | U6 snRNA-associated Sm-like protein LSm5 g | U6 snRNA-associated Sm-like protein LSm7 h | U6 snRNA-associated Sm-like protein LSm4 Non-standard residues in 3jcm #1 --- GTP — guanosine-5'-triphosphate M7M — N,N,7-trimethylguanosine 5'-(trihydrogen diphosphate) > select clear Alignment identifier is bp1 [1] Associated 3jcm chain B to 3JCM_B with 0 mismatches Showing conservation header ("seq_conservation" residue attribute) for alignment bp1 [1] > ui tool show "Modeller Comparative" <QNSWindow: 0x7f945e788800; contentView=<QNSView: 0x7f945e7891f0; QCocoaWindow(0x600002797700, window=QWidgetWindow(0x6000034eac40, name="AlignSeqMenuButtonClassWindow"))>> has active key-value observers (KVO)! These will stop working now that the window is recreated, and will result in exceptions when the observers are removed. Break in QCocoaWindow::recreateWindowIfNeeded to debug. <QNSWindow: 0x7f94ae47d310; contentView=<QNSView: 0x7f945ff20d20; QCocoaWindow(0x600002797700, window=QWidgetWindow(0x6000034eaee0, name="AlignSeqMenuButtonClassWindow"))>> has active key-value observers (KVO)! These will stop working now that the window is recreated, and will result in exceptions when the observers are removed. Break in QCocoaWindow::recreateWindowIfNeeded to debug. > modeller comparative "bp1 [1]:2" multichain false numModels 5 fast false > hetPreserve false hydrogens false tempPath > /Users/blemire/Desktop/untitled_folder waterPreserve false Traceback (most recent call last): File "/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site- packages/chimerax/modeller/tool.py", line 140, in launch_modeller run(self.session, "modeller comparative %s multichain %s numModels %d fast %s hetPreserve %s" File "/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site- packages/chimerax/core/commands/run.py", line 36, in run results = command.run(text, log=log, return_json=return_json) File "/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site- packages/chimerax/core/commands/cli.py", line 2852, in run result = ci.function(session, **kw_args) File "/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site- packages/chimerax/modeller/cmd.py", line 34, in sequence_model comparative.model(session, targets, block=block, multichain=multichain, File "/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site- packages/chimerax/modeller/comparative.py", line 215, in model pir_target = Sequence(name=opal_safe_file_name(target_name)) UnboundLocalError: local variable 'target_name' referenced before assignment UnboundLocalError: local variable 'target_name' referenced before assignment File "/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site- packages/chimerax/modeller/comparative.py", line 215, in model pir_target = Sequence(name=opal_safe_file_name(target_name)) See log for complete Python traceback. OpenGL version: 4.1 ATI-4.5.14 OpenGL renderer: AMD Radeon Pro 580X OpenGL Engine OpenGL vendor: ATI Technologies Inc.Hardware: Hardware Overview: Model Name: iMac Model Identifier: iMac19,1 Processor Name: 8-Core Intel Core i9 Processor Speed: 3.6 GHz Number of Processors: 1 Total Number of Cores: 8 L2 Cache (per Core): 256 KB L3 Cache: 16 MB Hyper-Threading Technology: Enabled Memory: 64 GB System Firmware Version: 1554.120.15.0.0 SMC Version (system): 2.46f12 Software: System Software Overview: System Version: macOS 11.4 (20F71) Kernel Version: Darwin 20.5.0 Time since boot: 4 days 18:53 Graphics/Displays: Radeon Pro 580X: Chipset Model: Radeon Pro 580X Type: GPU Bus: PCIe PCIe Lane Width: x16 VRAM (Total): 8 GB Vendor: AMD (0x1002) Device ID: 0x67df Revision ID: 0x00c0 ROM Revision: 113-D0008A-042 VBIOS Version: 113-D0008A1X-009 EFI Driver Version: 01.B1.042 Metal Family: Supported, Metal GPUFamily macOS 2 Displays: iMac: Display Type: Built-In Retina LCD Resolution: Retina 5K (5120 x 2880) Framebuffer Depth: 30-Bit Color (ARGB2101010) Main Display: Yes Mirror: Off Online: Yes Automatically Adjust Brightness: Yes Connection Type: Internal Thunderbolt Display: Display Type: LCD Resolution: 2048 x 1152 UI Looks like: 2048 x 1152 Framebuffer Depth: 30-Bit Color (ARGB2101010) Display Serial Number: C02MC33KF2GC Mirror: Off Online: Yes Rotation: Supported Automatically Adjust Brightness: No Connection Type: Thunderbolt/DisplayPort Locale: (None, 'UTF-8') PyQt5 5.15.2, Qt 5.15.2 Installed Packages: alabaster: 0.7.12 appdirs: 1.4.4 appnope: 0.1.2 Babel: 2.9.1 backcall: 0.2.0 blockdiag: 2.0.1 certifi: 2020.12.5 cftime: 1.5.0 chardet: 3.0.4 ChimeraX-AddCharge: 1.0.1 ChimeraX-AddH: 2.1.6 ChimeraX-AlignmentAlgorithms: 2.0 ChimeraX-AlignmentHdrs: 3.2 ChimeraX-AlignmentMatrices: 2.0 ChimeraX-Alignments: 2.1 ChimeraX-AmberInfo: 1.0 ChimeraX-Arrays: 1.0 ChimeraX-Atomic: 1.13.2 ChimeraX-AtomicLibrary: 3.1.3 ChimeraX-AtomSearch: 2.0 ChimeraX-AtomSearchLibrary: 1.0 ChimeraX-AxesPlanes: 2.0 ChimeraX-BasicActions: 1.1 ChimeraX-BILD: 1.0 ChimeraX-BlastProtein: 1.1 ChimeraX-BondRot: 2.0 ChimeraX-BugReporter: 1.0 ChimeraX-BuildStructure: 2.5.2 ChimeraX-Bumps: 1.0 ChimeraX-BundleBuilder: 1.1 ChimeraX-ButtonPanel: 1.0 ChimeraX-CageBuilder: 1.0 ChimeraX-CellPack: 1.0 ChimeraX-Centroids: 1.1 ChimeraX-ChemGroup: 2.0 ChimeraX-Clashes: 2.1 ChimeraX-ColorActions: 1.0 ChimeraX-ColorGlobe: 1.0 ChimeraX-ColorKey: 1.2.1 ChimeraX-CommandLine: 1.1.4 ChimeraX-ConnectStructure: 2.0 ChimeraX-Contacts: 1.0 ChimeraX-Core: 1.2.5 ChimeraX-CoreFormats: 1.0 ChimeraX-coulombic: 1.1.1 ChimeraX-Crosslinks: 1.0 ChimeraX-Crystal: 1.0 ChimeraX-CrystalContacts: 1.0 ChimeraX-DataFormats: 1.1 ChimeraX-Dicom: 1.0 ChimeraX-DistMonitor: 1.1.3 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: 1.0 ChimeraX-Hbonds: 2.1 ChimeraX-Help: 1.1 ChimeraX-HKCage: 1.3 ChimeraX-IHM: 1.0 ChimeraX-ImageFormats: 1.1 ChimeraX-IMOD: 1.0 ChimeraX-IO: 1.0.1 ChimeraX-Label: 1.0 ChimeraX-ListInfo: 1.1.1 ChimeraX-Log: 1.1.2 ChimeraX-LookingGlass: 1.1 ChimeraX-Maestro: 1.8.1 ChimeraX-Map: 1.0.2 ChimeraX-MapData: 2.0 ChimeraX-MapEraser: 1.0 ChimeraX-MapFilter: 2.0 ChimeraX-MapFit: 2.0 ChimeraX-MapSeries: 2.0 ChimeraX-Markers: 1.0 ChimeraX-Mask: 1.0 ChimeraX-MatchMaker: 1.2.1 ChimeraX-MDcrds: 2.2 ChimeraX-MedicalToolbar: 1.0.1 ChimeraX-Meeting: 1.0 ChimeraX-MLP: 1.1 ChimeraX-mmCIF: 2.3 ChimeraX-MMTF: 2.1 ChimeraX-Modeller: 1.0.1 ChimeraX-ModelPanel: 1.0.1 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: 2.0.1 ChimeraX-OpenCommand: 1.5 ChimeraX-PDB: 2.4.1 ChimeraX-PDBBio: 1.0 ChimeraX-PDBLibrary: 1.0.1 ChimeraX-PDBMatrices: 1.0 ChimeraX-PickBlobs: 1.0 ChimeraX-Positions: 1.0 ChimeraX-PresetMgr: 1.0.1 ChimeraX-PubChem: 2.0.1 ChimeraX-ReadPbonds: 1.0 ChimeraX-Registration: 1.1 ChimeraX-RemoteControl: 1.0 ChimeraX-ResidueFit: 1.0 ChimeraX-RestServer: 1.1 ChimeraX-RNALayout: 1.0 ChimeraX-RotamerLibMgr: 2.0 ChimeraX-RotamerLibsDunbrack: 2.0 ChimeraX-RotamerLibsDynameomics: 2.0 ChimeraX-RotamerLibsRichardson: 2.0 ChimeraX-SaveCommand: 1.4 ChimeraX-SchemeMgr: 1.0 ChimeraX-SDF: 2.0 ChimeraX-Segger: 1.0 ChimeraX-Segment: 1.0 ChimeraX-SeqView: 2.3 ChimeraX-Shape: 1.0.1 ChimeraX-Shell: 1.0 ChimeraX-Shortcuts: 1.0 ChimeraX-ShowAttr: 1.0 ChimeraX-ShowSequences: 1.0 ChimeraX-SideView: 1.0 ChimeraX-Smiles: 2.0.1 ChimeraX-SmoothLines: 1.0 ChimeraX-SpaceNavigator: 1.0 ChimeraX-StdCommands: 1.3.1 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: 1.0.1 ChimeraX-ToolshedUtils: 1.2 ChimeraX-Tug: 1.0 ChimeraX-UI: 1.7.6 ChimeraX-uniprot: 2.1 ChimeraX-UnitCell: 1.0 ChimeraX-ViewDockX: 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: 0.4.3 comtypes: 1.1.7 cxservices: 1.0 cycler: 0.10.0 Cython: 0.29.21 decorator: 5.0.9 distlib: 0.3.1 docutils: 0.16 filelock: 3.0.12 funcparserlib: 0.3.6 grako: 3.16.5 h5py: 2.10.0 html2text: 2020.1.16 idna: 2.10 ihm: 0.17 imagecodecs: 2020.5.30 imagesize: 1.2.0 ipykernel: 5.3.4 ipython: 7.18.1 ipython-genutils: 0.2.0 jedi: 0.17.2 Jinja2: 2.11.2 jupyter-client: 6.1.7 jupyter-core: 4.7.1 kiwisolver: 1.3.1 line-profiler: 2.1.2 lxml: 4.6.2 lz4: 3.1.0 MarkupSafe: 2.0.1 matplotlib: 3.3.2 matplotlib-inline: 0.1.2 msgpack: 1.0.0 netCDF4: 1.5.4 networkx: 2.5 numexpr: 2.7.3 numpy: 1.19.2 numpydoc: 1.1.0 openvr: 1.14.1501 packaging: 20.9 ParmEd: 3.2.0 parso: 0.7.1 pexpect: 4.8.0 pickleshare: 0.7.5 Pillow: 7.2.0 pip: 21.0.1 pkginfo: 1.5.0.1 prompt-toolkit: 3.0.18 psutil: 5.7.2 ptyprocess: 0.7.0 pycollada: 0.7.1 pydicom: 2.0.0 Pygments: 2.7.1 PyOpenGL: 3.1.5 PyOpenGL-accelerate: 3.1.5 pyparsing: 2.4.7 PyQt5-commercial: 5.15.2 PyQt5-sip: 12.8.1 PyQtWebEngine-commercial: 5.15.2 python-dateutil: 2.8.1 pytz: 2021.1 pyzmq: 22.0.3 qtconsole: 4.7.7 QtPy: 1.9.0 RandomWords: 0.3.0 requests: 2.24.0 scipy: 1.5.2 setuptools: 50.3.2 sfftk-rw: 0.6.7.dev1 six: 1.15.0 snowballstemmer: 2.1.0 sortedcontainers: 2.2.2 Sphinx: 3.2.1 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: 2020.9.3 tinyarray: 1.2.3 tornado: 6.1 traitlets: 5.0.5 urllib3: 1.25.11 wcwidth: 0.2.5 webcolors: 1.11.1 wheel: 0.36.0 wheel-filename: 1.3.0
Change History (4)
comment:1 by , 4 years ago
Component: | Unassigned → Sequence |
---|---|
Owner: | set to |
Platform: | → all |
Project: | → ChimeraX |
Status: | new → accepted |
Summary: | ChimeraX bug report submission → Modeller: 'target_name' referenced before assignment |
comment:2 by , 4 years ago
Resolution: | → fixed |
---|---|
Status: | accepted → closed |
Hi Bernard,
Thanks for reporting this problem. There's one additional thing required for it to happen: "Make multichain model from multichain template" has to be turned off -- which is probably why it hasn't been reported until now. I have committed a fix and it will be in the next daily build. You could either wait for that or turn the multichain thing on, depending on what you need.
--Eric
Eric Pettersen
UCSF Computer Graphics Lab
follow-up: 3 comment:3 by , 4 years ago
Hi Eric, I'm not sure I fully understand this. But, I have run modeller and it has generated 5 models. I checked the box for making multichain models. Yet this is not a multichain model (one chain of a multichain template). Anyways, thank you for your quick response and fix. I will get the next build when it comes out. Bernard On Thu, Jun 17, 2021 at 11:38 AM ChimeraX <ChimeraX-bugs-admin@cgl.ucsf.edu> wrote:
comment:4 by , 4 years ago
If the template only has one chain associated, it doesn't really matter whether or not you have that button checked (except for the fact that the code for the unchecked button is buggy). But let's say you have both chains of a homodimer associated. The button then controls whether the modeling result is a dimer or only a single chain.
Reported by Bernard Lemire