Opened 4 years ago
Closed 4 years ago
#6347 closed defect (can't reproduce)
Matchmaker: no reference chains
Reported by: | Owned by: | pett | |
---|---|---|---|
Priority: | normal | Milestone: | |
Component: | Structure Comparison | Version: | |
Keywords: | Cc: | ||
Blocked By: | Blocking: | ||
Notify when closed: | Platform: | all | |
Project: | ChimeraX |
Description
The following bug report has been submitted: Platform: macOS-10.15.7-x86_64-i386-64bit ChimeraX Version: 1.2.5 (2021-05-24 04:13:57 UTC) Description (Describe the actions that caused this problem to occur here) 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 > /Users/apadavan/Desktop/Drosophila_processing/Model_Building/Refinement_Drosophila_Model/RealSpaceRefine_15/Dro_real_space_refined_013_coot1_real_space_refined_015.pdb Summary of feedback from opening /Users/apadavan/Desktop/Drosophila_processing/Model_Building/Refinement_Drosophila_Model/RealSpaceRefine_15/Dro_real_space_refined_013_coot1_real_space_refined_015.pdb --- warnings | Ignored bad PDB record found on line 475 LINK SG CYS V1 394 FE4 SF4 V1 502 Ignored bad PDB record found on line 476 LINK SG CYS V1 400 FE1 SF4 V1 502 Ignored bad PDB record found on line 477 LINK SG CYS V1 440 FE2 SF4 V1 502 Ignored bad PDB record found on line 478 LINK SG CYS V1 397 FE3 SF4 V1 502 Ignored bad PDB record found on line 479 LINK SG CYS V2 128 FE1 FES V2 301 59 messages similar to the above omitted Start residue of secondary structure not found: HELIX 331 331 PROA7 10 LEUA7 20 1 11 Start residue of secondary structure not found: HELIX 332 332 TYRA7 57 ARGA7 60 5 4 Start residue of secondary structure not found: HELIX 333 333 GLYA7 62 GLUA7 65 1 4 Start residue of secondary structure not found: HELIX 334 334 LEUA7 72 GLNA7 78 1 7 Chain information for Dro_real_space_refined_013_coot1_real_space_refined_015.pdb #1 --- Chain | Description 1 | No description available 2 | No description available 3 | No description available 4 | No description available 4L | No description available 5 | No description available 6 | No description available 7 | No description available A1 | No description available A3 | No description available A5 | No description available A6 | No description available A8 | No description available A9 | No description available AB | No description available AC | No description available AL | No description available AM | No description available AN | No description available AO | No description available B1 | No description available B2 | No description available B3 | No description available B4 | No description available B5 | No description available B6 | No description available B7 | No description available B8 | No description available B9 | No description available BL | No description available BM | No description available C2 | No description available S1 | No description available S2 | No description available S3 | No description available S4 | No description available S5 | No description available S6 | No description available S7 | No description available S8 | No description available V1 | No description available V2 | No description available V3 | No description available > set bgColor white > hide atoms > show cartoons > color #1 cyan > lighting soft > lighting shadows true intensity 0.5 > lighting shadows false > lighting soft > open > /Users/apadavan/Desktop/Drosophila_processing/Model_Building/Refinement_Drosophila_Model/RealSpaceRefine_16/Dro_real_space_refined_014_coot2_real_space_refined_016.pdb Summary of feedback from opening /Users/apadavan/Desktop/Drosophila_processing/Model_Building/Refinement_Drosophila_Model/RealSpaceRefine_16/Dro_real_space_refined_014_coot2_real_space_refined_016.pdb --- warnings | Ignored bad PDB record found on line 475 LINK SG CYS V1 394 FE4 SF4 V1 502 Ignored bad PDB record found on line 476 LINK SG CYS V1 400 FE1 SF4 V1 502 Ignored bad PDB record found on line 477 LINK SG CYS V1 440 FE2 SF4 V1 502 Ignored bad PDB record found on line 478 LINK SG CYS V1 397 FE3 SF4 V1 502 Ignored bad PDB record found on line 479 LINK SG CYS V2 128 FE1 FES V2 301 61 messages similar to the above omitted Start residue of secondary structure not found: HELIX 140 140 LEUA8 34 CYSA8 38 1 5 Start residue of secondary structure not found: HELIX 141 141 ALAA8 41 GLUA8 51 1 11 Start residue of secondary structure not found: HELIX 142 142 VALA8 65 LYSA8 78 1 14 Start residue of secondary structure not found: HELIX 143 143 HISA8 81 LEUA8 91 1 11 Start residue of secondary structure not found: HELIX 144 144 THRA8 106 PHEA8 118 1 13 Chain information for Dro_real_space_refined_014_coot2_real_space_refined_016.pdb #2 --- Chain | Description 1 | No description available 2 | No description available 3 | No description available 4 | No description available 4L | No description available 5 | No description available 6 | No description available 8 | No description available A1 | No description available A3 | No description available A5 | No description available A6 | No description available A7 | No description available A9 | No description available AB | No description available AC | No description available AL | No description available AM | No description available AN | No description available AO | No description available B1 | No description available B2 | No description available B3 | No description available B4 | No description available B5 | No description available B6 | No description available B7 | No description available B8 | No description available B9 | No description available BL | No description available BM | No description available C2 | No description available S1 | No description available S2 | No description available S3 | No description available S4 | No description available S5 | No description available S6 | No description available S7 | No description available S8 | No description available V1 | No description available V2 | No description available V3 | No description available > hide atoms > show cartoons > mmaker #1 to #2 Parameters --- Chain pairing | bb 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 Dro_real_space_refined_014_coot2_real_space_refined_016.pdb, chain S1 (#2) with Dro_real_space_refined_013_coot1_real_space_refined_015.pdb, chain S1 (#1), sequence alignment score = 3315.8 RMSD between 687 pruned atom pairs is 0.442 angstroms; (across all 693 pairs: 0.497) > mmaker #2/1 to #2/1 Traceback (most recent call last): File "/Users/apadavan/Desktop/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site- packages/chimerax/cmd_line/tool.py", line 280, in execute cmd.run(cmd_text) File "/Users/apadavan/Desktop/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site- packages/chimerax/core/commands/cli.py", line 2868, in run result = ci.function(session, *args, optional=optional, File "/Users/apadavan/Desktop/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site- packages/chimerax/core/commands/cli.py", line 3404, in __call__ return self.cmd.run(text, _used_aliases=_used_aliases, log=log) File "/Users/apadavan/Desktop/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 "/Users/apadavan/Desktop/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site- packages/chimerax/match_maker/match.py", line 659, in cmd_match match_items = (refs[0], matches) IndexError: list index out of range IndexError: list index out of range File "/Users/apadavan/Desktop/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site- packages/chimerax/match_maker/match.py", line 659, in cmd_match match_items = (refs[0], matches) See log for complete Python traceback. OpenGL version: 4.1 NVIDIA-14.0.32 355.11.11.10.10.143 OpenGL renderer: NVIDIA GeForce GT 750M OpenGL Engine OpenGL vendor: NVIDIA CorporationHardware: Hardware Overview: Model Name: iMac Model Identifier: iMac14,3 Processor Name: Quad-Core Intel Core i7 Processor Speed: 3.1 GHz Number of Processors: 1 Total Number of Cores: 4 L2 Cache (per Core): 256 KB L3 Cache: 8 MB Hyper-Threading Technology: Enabled Memory: 16 GB Boot ROM Version: 432.60.3.0.0 SMC Version (system): 2.17f7 Software: System Software Overview: System Version: macOS 10.15.7 (19H1615) Kernel Version: Darwin 19.6.0 Time since boot: 17 days 20:48 Graphics/Displays: NVIDIA GeForce GT 750M: Chipset Model: NVIDIA GeForce GT 750M Type: GPU Bus: PCIe PCIe Lane Width: x16 VRAM (Total): 1 GB Vendor: NVIDIA (0x10de) Device ID: 0x0fe9 Revision ID: 0x00a2 ROM Revision: 3762 Metal: Supported, feature set macOS GPUFamily1 v4 Displays: iMac: Display Type: LCD Resolution: 1920 x 1080 (1080p FHD - Full High Definition) UI Looks like: 1920 x 1080 Framebuffer Depth: 24-Bit Color (ARGB8888) Main Display: Yes Mirror: Off Online: Yes Automatically Adjust Brightness: No Connection Type: Internal HP VH240a: Resolution: 1920 x 1080 (1080p FHD - Full High Definition) UI Looks like: 1920 x 1080 @ 60 Hz Framebuffer Depth: 24-Bit Color (ARGB8888) Display Serial Number: 6CM1160B4N Mirror: Off Online: Yes Rotation: Supported Automatically Adjust Brightness: No 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 (2)
comment:1 by , 4 years ago
Component: | Unassigned → Structure Comparison |
---|---|
Owner: | set to |
Platform: | → all |
Project: | → ChimeraX |
Status: | new → accepted |
Summary: | ChimeraX bug report submission → Matchmaker: no reference chains |
comment:2 by , 4 years ago
Resolution: | → can't reproduce |
---|---|
Status: | accepted → closed |
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