#16385 closed defect (fixed)
Attempt to save 3D label for dead pseudobond in session
Reported by: | Owned by: | pett | |
---|---|---|---|
Priority: | normal | Milestone: | |
Component: | Sessions | Version: | |
Keywords: | Cc: | Tom Goddard | |
Blocked By: | Blocking: | ||
Notify when closed: | Platform: | all | |
Project: | ChimeraX |
Description
The following bug report has been submitted: Platform: macOS-14.7.1-arm64-arm-64bit ChimeraX Version: 1.9rc202410290434 (2024-10-29 04:34:53 UTC) Description Load 7pmx and 7pmy. Use MatchMaker to superpose both chains A and B (B is a dipeptide). morph #1,2 frames 12 wrap true slider true (play morph, slow to #3, pause) File, Save ... (crash) Happy to provide more info or snapshots if you need them. Log: Startup Messages --- note | available bundle cache has not been initialized yet UCSF ChimeraX version: 1.9rc202410290434 (2024-10-29) © 2016-2024 Regents of the University of California. All rights reserved. How to cite UCSF ChimeraX > open "/Users/emartz/Documents/MolVis/Morphs/peptide transporter 7pmx > 7pmy/PDB/7pmx.pdb" format pdb 7pmx.pdb title: HSPEPT1 bound to ala-phe In the outward facing open conformation [more info...] Chain information for 7pmx.pdb #1 --- Chain | Description | UniProt A | solute carrier family 15 member 1 | S15A1_HUMAN 1-708 B | ala-phe | > open 7pmy fromDatabase pdb format mmcif Summary of feedback from opening 7pmy fetched from pdb --- note | Fetching compressed mmCIF 7pmy from http://files.rcsb.org/download/7pmy.cif 7pmy title: HsPepT2 bound to Ala-Phe in the inward facing partially occluded conformation [more info...] Chain information for 7pmy #2 --- Chain | Description | UniProt A | Solute carrier family 15 member 2 | S15A2_HUMAN 1-729 B | ALA-PHE | > ui tool show Matchmaker > matchmaker #2/B#2/A to #1/B#1/A pairing ss Computing secondary structure [Repeated 1 time(s)] Parameters --- Chain pairing | ss 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 7pmx.pdb, chain B (#1) with 7pmy, chain B (#2), sequence alignment score = 9.4 Matchmaker 7pmx.pdb, chain A (#1) with 7pmy, chain A (#2), sequence alignment score = 1898.6 RMSD between 182 pruned atom pairs is 1.341 angstroms; (across all 633 pairs: 4.805) > morph #1,2 frames 12 wrap true slider true Computed 25 frame morph #3 > coordset #3 1,25 > save /Users/emartz/Desktop/xyz.cxs Traceback (most recent call last): File "/Applications/ChimeraX-1.9-rc2024.10.29.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/core/session.py", line 322, in process data = sm.take_snapshot(obj, session, self.state_flags) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/Applications/ChimeraX-1.9-rc2024.10.29.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/label/label3d.py", line 697, in take_snapshot lstate = tuple({attr:getattr(l, attr) for attr in lattrs} ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/Applications/ChimeraX-1.9-rc2024.10.29.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/label/label3d.py", line 697, in <genexpr> lstate = tuple({attr:getattr(l, attr) for attr in lattrs} ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/Applications/ChimeraX-1.9-rc2024.10.29.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/label/label3d.py", line 697, in <dictcomp> lstate = tuple({attr:getattr(l, attr) for attr in lattrs} ^^^^^^^^^^^^^^^^ File "/Applications/ChimeraX-1.9-rc2024.10.29.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/label/label3d.py", line 796, in _get_offset return self.default_offset() if self._offset is None else self._offset ^^^^^^^^^^^^^^^^^^^^^ File "/Applications/ChimeraX-1.9-rc2024.10.29.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/label/label3d.py", line 960, in default_offset return (0.2+self.pseudobond.radius, 0, 0.5) ^^^^^^^^^^^^^^^^^^^^^^ File "/Applications/ChimeraX-1.9-rc2024.10.29.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/atomic/molc.py", line 106, in get_prop cget(self._c_pointer_ref, 1, v_ref) ^^^^^^^^^^^^^^^^^^^ AttributeError: 'Pseudobond' object has no attribute '_c_pointer_ref' The above exception was the direct cause of the following exception: Traceback (most recent call last): File "/Applications/ChimeraX-1.9-rc2024.10.29.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/core/session.py", line 297, in discovery self.processed[key] = self.process(obj, parents) ^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/Applications/ChimeraX-1.9-rc2024.10.29.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/core/session.py", line 329, in process raise RuntimeError(msg) from e RuntimeError: Error while saving session data for 'models' -> <chimerax.core.models.Models object at 0x1093d6ad0> -> <chimerax.label.label3d.ObjectLabels object at 0x35b859a90> 'labels' During handling of the above exception, another exception occurred: Traceback (most recent call last): File "/Applications/ChimeraX-1.9-rc2024.10.29.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/core/session.py", line 1051, in save session.save(output, version=version, include_maps=include_maps) File "/Applications/ChimeraX-1.9-rc2024.10.29.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/core/session.py", line 741, in save mgr.discovery(self._state_containers) File "/Applications/ChimeraX-1.9-rc2024.10.29.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/core/session.py", line 301, in discovery raise ValueError( ValueError: error processing: 'models' -> <chimerax.core.models.Models object at 0x1093d6ad0> -> <chimerax.label.label3d.ObjectLabels object at 0x35b859a90> 'labels': Error while saving session data for 'models' -> <chimerax.core.models.Models object at 0x1093d6ad0> -> <chimerax.label.label3d.ObjectLabels object at 0x35b859a90> 'labels' ValueError: error processing: 'models' -> -> 'labels': Error while saving session data for 'models' -> -> 'labels' File "/Applications/ChimeraX-1.9-rc2024.10.29.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/core/session.py", line 301, in discovery raise ValueError( See log for complete Python traceback. Traceback (most recent call last): File "/Applications/ChimeraX-1.9-rc2024.10.29.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/core/session.py", line 322, in process data = sm.take_snapshot(obj, session, self.state_flags) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/Applications/ChimeraX-1.9-rc2024.10.29.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/label/label3d.py", line 697, in take_snapshot lstate = tuple({attr:getattr(l, attr) for attr in lattrs} ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/Applications/ChimeraX-1.9-rc2024.10.29.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/label/label3d.py", line 697, in <genexpr> lstate = tuple({attr:getattr(l, attr) for attr in lattrs} ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/Applications/ChimeraX-1.9-rc2024.10.29.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/label/label3d.py", line 697, in <dictcomp> lstate = tuple({attr:getattr(l, attr) for attr in lattrs} ^^^^^^^^^^^^^^^^ File "/Applications/ChimeraX-1.9-rc2024.10.29.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/label/label3d.py", line 796, in _get_offset return self.default_offset() if self._offset is None else self._offset ^^^^^^^^^^^^^^^^^^^^^ File "/Applications/ChimeraX-1.9-rc2024.10.29.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/label/label3d.py", line 960, in default_offset return (0.2+self.pseudobond.radius, 0, 0.5) ^^^^^^^^^^^^^^^^^^^^^^ File "/Applications/ChimeraX-1.9-rc2024.10.29.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/atomic/molc.py", line 106, in get_prop cget(self._c_pointer_ref, 1, v_ref) ^^^^^^^^^^^^^^^^^^^ AttributeError: 'Pseudobond' object has no attribute '_c_pointer_ref' The above exception was the direct cause of the following exception: Traceback (most recent call last): File "/Applications/ChimeraX-1.9-rc2024.10.29.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/core/session.py", line 297, in discovery self.processed[key] = self.process(obj, parents) ^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/Applications/ChimeraX-1.9-rc2024.10.29.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/core/session.py", line 329, in process raise RuntimeError(msg) from e RuntimeError: Error while saving session data for 'models' -> <chimerax.core.models.Models object at 0x1093d6ad0> -> <chimerax.label.label3d.ObjectLabels object at 0x35b859a90> 'labels' During handling of the above exception, another exception occurred: Traceback (most recent call last): File "/Applications/ChimeraX-1.9-rc2024.10.29.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/save_command/dialog.py", line 127, in <lambda> lambda *args, ses=session: show_save_file_dialog(ses), tool_tip="Save output file", ^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/Applications/ChimeraX-1.9-rc2024.10.29.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/save_command/dialog.py", line 138, in show_save_file_dialog _dlg.display(session, **kw) File "/Applications/ChimeraX-1.9-rc2024.10.29.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/save_command/dialog.py", line 62, in display run(session, cmd) File "/Applications/ChimeraX-1.9-rc2024.10.29.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/core/commands/run.py", line 49, in run results = command.run(text, log=log, return_json=return_json) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/Applications/ChimeraX-1.9-rc2024.10.29.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/core/commands/cli.py", line 3213, in run result = ci.function(session, **kw_args) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/Applications/ChimeraX-1.9-rc2024.10.29.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/save_command/cmd.py", line 86, in cmd_save Command(session, registry=registry).run(provider_cmd_text, log=log) File "/Applications/ChimeraX-1.9-rc2024.10.29.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/core/commands/cli.py", line 3213, in run result = ci.function(session, **kw_args) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/Applications/ChimeraX-1.9-rc2024.10.29.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/save_command/cmd.py", line 101, in provider_save saver_info.save(session, path, **provider_kw) File "/Applications/ChimeraX-1.9-rc2024.10.29.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/core_formats/__init__.py", line 95, in save return cxs_save(session, path, **kw) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/Applications/ChimeraX-1.9-rc2024.10.29.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/core/session.py", line 1051, in save session.save(output, version=version, include_maps=include_maps) File "/Applications/ChimeraX-1.9-rc2024.10.29.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/core/session.py", line 741, in save mgr.discovery(self._state_containers) File "/Applications/ChimeraX-1.9-rc2024.10.29.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/core/session.py", line 301, in discovery raise ValueError( ValueError: error processing: 'models' -> <chimerax.core.models.Models object at 0x1093d6ad0> -> <chimerax.label.label3d.ObjectLabels object at 0x35b859a90> 'labels': Error while saving session data for 'models' -> <chimerax.core.models.Models object at 0x1093d6ad0> -> <chimerax.label.label3d.ObjectLabels object at 0x35b859a90> 'labels' ValueError: error processing: 'models' -> -> 'labels': Error while saving session data for 'models' -> -> 'labels' File "/Applications/ChimeraX-1.9-rc2024.10.29.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/core/session.py", line 301, in discovery raise ValueError( See log for complete Python traceback. OpenGL version: 4.1 Metal - 88.1 OpenGL renderer: Apple M3 Pro OpenGL vendor: Apple Python: 3.11.4 Locale: UTF-8 Qt version: PyQt6 6.7.1, Qt 6.7.1 Qt runtime version: 6.7.3 Qt platform: cocoa Hardware: Hardware Overview: Model Name: MacBook Pro Model Identifier: Mac15,7 Model Number: Z1AG0014GLL/A Chip: Apple M3 Pro Total Number of Cores: 12 (6 performance and 6 efficiency) Memory: 36 GB System Firmware Version: 11881.41.5 OS Loader Version: 10151.140.19.700.2 Software: System Software Overview: System Version: macOS 14.7.1 (23H222) Kernel Version: Darwin 23.6.0 Time since boot: 11 days, 6 hours, 39 minutes Graphics/Displays: Apple M3 Pro: Chipset Model: Apple M3 Pro Type: GPU Bus: Built-In Total Number of Cores: 18 Vendor: Apple (0x106b) Metal Support: Metal 3 Displays: Color LCD: Display Type: Built-in Liquid Retina XDR Display Resolution: 3456 x 2234 Retina Main Display: Yes Mirror: Off Online: Yes Automatically Adjust Brightness: No Connection Type: Internal BenQ GW2780: Resolution: 1920 x 1080 (1080p FHD - Full High Definition) UI Looks like: 1920 x 1080 @ 60.00Hz Mirror: Off Online: Yes Rotation: Supported Installed Packages: alabaster: 1.0.0 appdirs: 1.4.4 appnope: 0.1.4 asttokens: 2.4.1 auditwheel: 6.1.0 babel: 2.16.0 beautifulsoup4: 4.12.3 blockdiag: 3.0.0 blosc2: 2.7.1 build: 1.2.1 certifi: 2023.11.17 cftime: 1.6.4.post1 charset-normalizer: 3.4.0 ChimeraX-AddCharge: 1.5.17 ChimeraX-AddH: 2.2.6 ChimeraX-AlignmentAlgorithms: 2.0.2 ChimeraX-AlignmentHdrs: 3.5 ChimeraX-AlignmentMatrices: 2.1 ChimeraX-Alignments: 2.16.1 ChimeraX-AlphaFold: 1.0.1 ChimeraX-AltlocExplorer: 1.1.2 ChimeraX-AmberInfo: 1.0 ChimeraX-Arrays: 1.1 ChimeraX-Atomic: 1.58.7 ChimeraX-AtomicLibrary: 14.1.11 ChimeraX-AtomSearch: 2.0.1 ChimeraX-AxesPlanes: 2.4 ChimeraX-BasicActions: 1.1.2 ChimeraX-BILD: 1.0 ChimeraX-BlastProtein: 2.4.7 ChimeraX-BondRot: 2.0.4 ChimeraX-BugReporter: 1.0.1 ChimeraX-BuildStructure: 2.13 ChimeraX-Bumps: 1.0 ChimeraX-BundleBuilder: 1.4.0 ChimeraX-ButtonPanel: 1.0.1 ChimeraX-CageBuilder: 1.0.1 ChimeraX-CellPack: 1.0 ChimeraX-Centroids: 1.4 ChimeraX-ChangeChains: 1.1 ChimeraX-CheckWaters: 1.4 ChimeraX-ChemGroup: 2.0.1 ChimeraX-Clashes: 2.3 ChimeraX-ColorActions: 1.0.5 ChimeraX-ColorGlobe: 1.0 ChimeraX-ColorKey: 1.5.6 ChimeraX-CommandLine: 1.2.5 ChimeraX-ConnectStructure: 2.0.1 ChimeraX-Contacts: 1.0.1 ChimeraX-Core: 1.9rc202410290434 ChimeraX-CoreFormats: 1.2 ChimeraX-coulombic: 1.4.4 ChimeraX-Crosslinks: 1.0 ChimeraX-Crystal: 1.0 ChimeraX-CrystalContacts: 1.0.1 ChimeraX-DataFormats: 1.2.3 ChimeraX-Dicom: 1.2.5 ChimeraX-DistMonitor: 1.4.2 ChimeraX-DockPrep: 1.1.3 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: 1.4.1 ChimeraX-Hbonds: 2.5 ChimeraX-Help: 1.3 ChimeraX-HKCage: 1.3 ChimeraX-IHM: 1.1 ChimeraX-ImageFormats: 1.2 ChimeraX-IMOD: 1.0 ChimeraX-IO: 1.0.3 ChimeraX-ItemsInspection: 1.0.1 ChimeraX-IUPAC: 1.0 ChimeraX-KVFinder: 1.2 ChimeraX-Label: 1.1.11 ChimeraX-ListInfo: 1.2.2 ChimeraX-Log: 1.2 ChimeraX-LookingGlass: 1.1 ChimeraX-Maestro: 1.9.1 ChimeraX-Map: 1.3 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: 2.1.6 ChimeraX-MCopy: 1.0 ChimeraX-MDcrds: 2.7.1 ChimeraX-MedicalToolbar: 1.1 ChimeraX-Meeting: 1.0.1 ChimeraX-MLP: 1.1.1 ChimeraX-mmCIF: 2.14.2 ChimeraX-MMTF: 2.2 ChimeraX-ModelArchive: 1.0 ChimeraX-Modeller: 1.5.17 ChimeraX-ModelPanel: 1.5 ChimeraX-ModelSeries: 1.0.1 ChimeraX-Mol2: 2.0.3 ChimeraX-Mole: 1.0 ChimeraX-Morph: 1.0.2 ChimeraX-MouseModes: 1.2 ChimeraX-Movie: 1.0 ChimeraX-MutationScores: 1.0 ChimeraX-Neuron: 1.0 ChimeraX-Nifti: 1.2 ChimeraX-NMRSTAR: 1.0.2 ChimeraX-NRRD: 1.2 ChimeraX-Nucleotides: 2.0.3 ChimeraX-OpenCommand: 1.14 ChimeraX-OrthoPick: 1.0.1 ChimeraX-PDB: 2.7.6 ChimeraX-PDBBio: 1.0.1 ChimeraX-PDBLibrary: 1.0.4 ChimeraX-PDBMatrices: 1.0 ChimeraX-PickBlobs: 1.0.1 ChimeraX-Positions: 1.0 ChimeraX-PresetMgr: 1.1.2 ChimeraX-PubChem: 2.2 ChimeraX-ReadPbonds: 1.0.1 ChimeraX-Registration: 1.1.2 ChimeraX-RemoteControl: 1.0 ChimeraX-RenderByAttr: 1.6.1 ChimeraX-RenumberResidues: 1.1 ChimeraX-ResidueFit: 1.0.1 ChimeraX-RestServer: 1.3.1 ChimeraX-RNALayout: 1.0 ChimeraX-RotamerLibMgr: 4.0 ChimeraX-RotamerLibsDunbrack: 2.0 ChimeraX-RotamerLibsDynameomics: 2.0 ChimeraX-RotamerLibsRichardson: 2.0 ChimeraX-SaveCommand: 1.5.1 ChimeraX-SchemeMgr: 1.0 ChimeraX-SDF: 2.0.2 ChimeraX-Segger: 1.0 ChimeraX-Segment: 1.0.1 ChimeraX-Segmentations: 3.2.2 ChimeraX-SelInspector: 1.0 ChimeraX-SeqView: 2.14 ChimeraX-Shape: 1.0.1 ChimeraX-Shell: 1.0.1 ChimeraX-Shortcuts: 1.2.0 ChimeraX-ShowSequences: 1.0.3 ChimeraX-SideView: 1.0.1 ChimeraX-SimilarStructures: 1.0.1 ChimeraX-Smiles: 2.1.2 ChimeraX-SmoothLines: 1.0 ChimeraX-SpaceNavigator: 1.0 ChimeraX-StdCommands: 1.18.1 ChimeraX-STL: 1.0.1 ChimeraX-Storm: 1.0 ChimeraX-StructMeasure: 1.2.1 ChimeraX-Struts: 1.0.1 ChimeraX-Surface: 1.0.1 ChimeraX-SwapAA: 2.0.1 ChimeraX-SwapRes: 2.5 ChimeraX-TapeMeasure: 1.0 ChimeraX-TaskManager: 1.0 ChimeraX-Test: 1.0 ChimeraX-Toolbar: 1.2.3 ChimeraX-ToolshedUtils: 1.2.4 ChimeraX-Topography: 1.0 ChimeraX-ToQuest: 1.0 ChimeraX-Tug: 1.0.1 ChimeraX-UI: 1.41 ChimeraX-Umap: 1.0 ChimeraX-uniprot: 2.3.1 ChimeraX-UnitCell: 1.0.1 ChimeraX-ViewDockX: 1.4.4 ChimeraX-VIPERdb: 1.0 ChimeraX-Vive: 1.1 ChimeraX-VolumeMenu: 1.0.1 ChimeraX-vrml: 1.0 ChimeraX-VTK: 1.0 ChimeraX-WavefrontOBJ: 1.0 ChimeraX-WebCam: 1.0.2 ChimeraX-WebServices: 1.1.4 ChimeraX-Zone: 1.0.1 colorama: 0.4.6 comm: 0.2.2 contourpy: 1.3.0 cxservices: 1.2.3 cycler: 0.12.1 Cython: 3.0.10 debugpy: 1.8.7 decorator: 5.1.1 docutils: 0.21.2 executing: 2.1.0 filelock: 3.15.4 fonttools: 4.54.1 funcparserlib: 2.0.0a0 glfw: 2.7.0 grako: 3.16.5 h5py: 3.12.1 html2text: 2024.2.26 idna: 3.10 ihm: 1.3 imagecodecs: 2024.6.1 imagesize: 1.4.1 ipykernel: 6.29.5 ipython: 8.26.0 ipywidgets: 8.1.5 jedi: 0.19.1 Jinja2: 3.1.4 jupyter_client: 8.6.2 jupyter_core: 5.7.2 jupyterlab_widgets: 3.0.13 kiwisolver: 1.4.7 line_profiler: 4.1.3 lxml: 5.2.2 lz4: 4.3.3 MarkupSafe: 3.0.2 matplotlib: 3.9.2 matplotlib-inline: 0.1.7 msgpack: 1.0.8 ndindex: 1.9.2 nest-asyncio: 1.6.0 netCDF4: 1.6.5 networkx: 3.3 nibabel: 5.2.0 nptyping: 2.5.0 numexpr: 2.10.1 numpy: 1.26.4 openvr: 1.26.701 packaging: 23.2 ParmEd: 4.2.2 parso: 0.8.4 pep517: 0.13.1 pexpect: 4.9.0 pillow: 10.4.0 pip: 24.2 pkginfo: 1.11.1 platformdirs: 4.3.6 prompt_toolkit: 3.0.48 psutil: 6.0.0 ptyprocess: 0.7.0 pure_eval: 0.2.3 py-cpuinfo: 9.0.0 pycollada: 0.8 pydicom: 2.4.4 pyelftools: 0.31 Pygments: 2.18.0 pynmrstar: 3.3.4 pynrrd: 1.0.0 PyOpenGL: 3.1.7 PyOpenGL-accelerate: 3.1.7 pyopenxr: 1.0.3401 pyparsing: 3.2.0 pyproject_hooks: 1.2.0 PyQt6-commercial: 6.7.1 PyQt6-Qt6: 6.7.3 PyQt6-WebEngine-commercial: 6.7.0 PyQt6-WebEngine-Qt6: 6.7.3 PyQt6-WebEngineSubwheel-Qt6: 6.7.3 PyQt6_sip: 13.8.0 python-dateutil: 2.9.0.post0 pytz: 2024.2 pyzmq: 26.2.0 qtconsole: 5.5.2 QtPy: 2.4.1 qtshim: 1.0 RandomWords: 0.4.0 requests: 2.32.3 scipy: 1.14.0 setuptools: 72.1.0 sfftk-rw: 0.8.1 six: 1.16.0 snowballstemmer: 2.2.0 sortedcontainers: 2.4.0 soupsieve: 2.6 Sphinx: 8.0.2 sphinx-autodoc-typehints: 2.2.3 sphinxcontrib-applehelp: 2.0.0 sphinxcontrib-blockdiag: 3.0.0 sphinxcontrib-devhelp: 2.0.0 sphinxcontrib-htmlhelp: 2.1.0 sphinxcontrib-jsmath: 1.0.1 sphinxcontrib-qthelp: 2.0.0 sphinxcontrib-serializinghtml: 2.0.0 stack-data: 0.6.3 superqt: 0.6.3 tables: 3.10.1 tcia_utils: 1.5.1 tifffile: 2024.7.24 tinyarray: 1.2.4 tornado: 6.4.1 traitlets: 5.14.3 typing_extensions: 4.12.2 tzdata: 2024.2 urllib3: 2.2.3 wcwidth: 0.2.13 webcolors: 24.6.0 wheel: 0.43.0 wheel-filename: 1.4.1 widgetsnbextension: 4.0.13
Change History (4)
comment:1 by , 11 months ago
Cc: | added |
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Component: | Unassigned → Sessions |
Owner: | set to |
Platform: | → all |
Project: | → ChimeraX |
Status: | new → assigned |
Summary: | ChimeraX bug report submission → Attempt to save 3D label for dead pseudobond in session |
comment:2 by , 11 months ago
Cc: | added; removed |
---|---|
Owner: | changed from | to
The error is that the morph structure has a missing segment label that points to a deleted pseudobond. I'd guess the way that came about is that the morph command copies the first structure and then deletes residues that are not in common between the two morphed structures. When it copied the first structure maybe it made labels for all the missing segments. But then deleting residues changed the missing segments and ended up deleting missing segment pseudobonds and creating new ones. The labels on those deleted pseudobonds should automatically get deleted because the ObjectLabels object gets the atomic "changes" trigger and detects all pseudobonds that are deleted and deletes any labels on those. But in the above scenario apparently pseudobonds with labels got deleted with no "changes" trigger so the labels persisted.
I think Eric would know best how the pseudobonds might get deleted when residue deletions change the missing segments and how that could be done without causing a "changes" trigger. So reassigning to Eric.
Slightly simpler steps to reproduce: open 7pmx ; open 7pmy ; mm #2 to #1 ; morph #1,2 ; save test.cxs.
comment:3 by , 11 months ago
Resolution: | → fixed |
---|---|
Status: | assigned → closed |
Morph was deleting atoms (and therefore pseudobonds connected to them, and their labels) before the morph structure was opened in the session, which threw off the label code tracking when the labeled atom/pseudobond/etc. got deleted. Fixed in the next daily build and release candidate.
Fix: https://github.com/RBVI/ChimeraX/commit/c2ef41378c5e18d5204540f3cf4374d1a64afcaf
comment:4 by , 11 months ago
THANK YOU! -Eric, http://martz.molviz.org On Monday, December 2, 2024 at 08:17:58 PM EST, ChimeraX <chimerax-bugs-admin@cgl.ucsf.edu> wrote: #16385: Attempt to save 3D label for dead pseudobond in session ----------------------------------+-------------------- Reporter: martzeric@… | Owner: pett Type: defect | Status: closed Priority: normal | Milestone: Component: Sessions | Version: Resolution: fixed | Keywords: Blocked By: | Blocking: Notify when closed: | Platform: all Project: ChimeraX | ----------------------------------+-------------------- Changes (by pett): * resolution: => fixed * status: assigned => closed Comment: Morph was deleting atoms (and therefore pseudobonds connected to them, and their labels) before the morph structure was opened in the session, which threw off the label code tracking when the labeled atom/pseudobond/etc. got deleted. Fixed in the next daily build and release candidate. Fix: https://github.com/RBVI/ChimeraX/commit/c2ef41378c5e18d5204540f3cf4374d1a64afcaf
Reported by Eric Martz, and reproducible with the recipe he provided.