Opened 4 years ago

Closed 4 years ago

Last modified 4 years ago

#5641 closed defect (can't reproduce)

new bond: map::at: key not found

Reported by: chimerax-bug-report@… Owned by: pett
Priority: normal Milestone:
Component: Structure Editing Version:
Keywords: Cc: Tony Schaefer
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
(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/sheiny/Desktop/SEN6.pdb

Summary of feedback from opening /Users/sheiny/Desktop/SEN6.pdb  
---  
warnings | Start residue of secondary structure not found: HELIX 1 1 ALAU1 71
LEUU1 84 1 14  
Start residue of secondary structure not found: HELIX 2 2 SERU1 356 TYRU1 360
1 5  
Start residue of secondary structure not found: HELIX 3 3 ASNE2 493 ARGE2 505
1 13  
Start residue of secondary structure not found: HELIX 4 4 LEUE2 526 ALAE2 528
1 3  
Start residue of secondary structure not found: HELIX 5 5 ASNE2 529 SERE2 535
1 7  
97 messages similar to the above omitted  
  
Chain information for SEN6.pdb  
---  
Chain | Description  
1.1/A4 | No description available  
1.2/D | No description available  
1.1/E2 | No description available  
1.1/F2 | No description available  
1.1/G2 | No description available  
1.3/U | No description available  
1.1/U1 | No description available  
1.1/U3 | No description available  
  

> hide atoms

> hide cartoons

> style stick

Changed 7659 atom styles  

> show cartoons

> hide #!1.3 models

> show #!1.3 models

> ui mousemode right select

> select #1.1/F2:1790

5 atoms, 4 bonds, 1 residue, 1 model selected  

> select add #1.1/F2:449

11 atoms, 9 bonds, 2 residues, 1 model selected  

> hide sel cartoons

> show sel atoms

> color sel byhetero

> ui mousemode right bond

> show sel cartoons

> hide sel atoms

> ui mousemode right select

> select clear

> select #1.1/U1:880

5 atoms, 4 bonds, 1 residue, 1 model selected  

> select #1.1/G2:1488

12 atoms, 12 bonds, 1 residue, 1 model selected  

> select #1.1/U1:880

5 atoms, 4 bonds, 1 residue, 1 model selected  

> select add #1.1/U1:881

16 atoms, 14 bonds, 2 residues, 1 model selected  

> show sel atoms

> color sel byhetero

> hide sel cartoons

> select #1.1/G2:1488

12 atoms, 12 bonds, 1 residue, 1 model selected  

> hide sel cartoons

> show sel atoms

> color sel byhetero

> select #1.1/G2:1487

4 atoms, 3 bonds, 1 residue, 1 model selected  

> show sel cartoons

> hide sel atoms

> hide sel cartoons

> show sel atoms

> color sel byhetero

> select #1.1/G2:1487@C

1 atom, 1 residue, 1 model selected  

> hide sel atoms

> show sel atoms

> ui mousemode right "select fragment"

> select clear

> hide sel atoms

> show sel cartoons

> select clear

> ui mousemode right select

> select #1.1/U1:880

5 atoms, 4 bonds, 1 residue, 1 model selected  

> select add #1.1/G2:1488

17 atoms, 16 bonds, 2 residues, 1 model selected  

> select #1.1/G2:1488

12 atoms, 12 bonds, 1 residue, 1 model selected  

> select #1.1/U1:880

5 atoms, 4 bonds, 1 residue, 1 model selected  

> hide sel cartoons

> show sel atoms

> select #1.1/G2:1488

12 atoms, 12 bonds, 1 residue, 1 model selected  

> show sel atoms

> hide sel cartoons

> delete atoms sel

> delete bonds sel

> select #1.1/G2:1487

4 atoms, 3 bonds, 1 residue, 1 model selected  

> show sel atoms

> hide sel cartoons

> ui mousemode right "select fragment"

> ui mousemode right bond

> show sel atoms

> hide sel atoms

> hide sel cartoons

> show sel cartoons

> ui mousemode right select

> ui mousemode right "select fragment"

> show sel cartoons

> hide sel atoms

> style sel stick

Changed 241 atom styles  

> color sel byhetero

> hide sel atoms

> show sel atoms

> hide sel cartoons

> ui mousemode right "structure eraser"

> ui mousemode right bond

> hide sel atoms

> hide sel cartoons

> show sel cartoons

> show sel atoms

> hide sel cartoons

> ui mousemode right "structure eraser"

> ui mousemode right bond

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/mouse_modes/mousemodes.py", line 639, in <lambda>  
gw.mouseReleaseEvent = lambda e, s=self: s._dispatch_mouse_event(e,
"mouse_up")  
File
"/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-
packages/chimerax/mouse_modes/mousemodes.py", line 537, in
_dispatch_mouse_event  
f(MouseEvent(event, modifiers=modifiers))  
File "/Users/sheiny/Library/Application Support/ChimeraX/1.2/site-
packages/SEQCROW/mouse_modes.py", line 356, in mouse_up  
new_bond = atom.structure.new_bond(atom, self._atom1)  
File
"/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-
packages/chimerax/atomic/molobject.py", line 1577, in new_bond  
return f(self._c_pointer, atom1._c_pointer, atom2._c_pointer)  
IndexError: map::at: key not found  
  
IndexError: map::at: key not found  
  
File
"/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-
packages/chimerax/atomic/molobject.py", line 1577, in new_bond  
return f(self._c_pointer, atom1._c_pointer, atom2._c_pointer)  
  
See log for complete Python traceback.  
  
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/mouse_modes/mousemodes.py", line 639, in <lambda>  
gw.mouseReleaseEvent = lambda e, s=self: s._dispatch_mouse_event(e,
"mouse_up")  
File
"/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-
packages/chimerax/mouse_modes/mousemodes.py", line 537, in
_dispatch_mouse_event  
f(MouseEvent(event, modifiers=modifiers))  
File "/Users/sheiny/Library/Application Support/ChimeraX/1.2/site-
packages/SEQCROW/mouse_modes.py", line 356, in mouse_up  
new_bond = atom.structure.new_bond(atom, self._atom1)  
File
"/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-
packages/chimerax/atomic/molobject.py", line 1577, in new_bond  
return f(self._c_pointer, atom1._c_pointer, atom2._c_pointer)  
IndexError: map::at: key not found  
  
IndexError: map::at: key not found  
  
File
"/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-
packages/chimerax/atomic/molobject.py", line 1577, in new_bond  
return f(self._c_pointer, atom1._c_pointer, atom2._c_pointer)  
  
See log for complete Python traceback.  
  




OpenGL version: 4.1 INTEL-16.5.2
OpenGL renderer: Intel(R) Iris(TM) Plus Graphics 645
OpenGL vendor: Intel Inc.Hardware:

    Hardware Overview:

      Model Name: MacBook Pro
      Model Identifier: MacBookPro16,3
      Processor Name: Quad-Core Intel Core i5
      Processor Speed: 1.4 GHz
      Number of Processors: 1
      Total Number of Cores: 4
      L2 Cache (per Core): 256 KB
      L3 Cache: 6 MB
      Hyper-Threading Technology: Enabled
      Memory: 8 GB
      System Firmware Version: 1554.140.20.0.0 (iBridge: 18.16.14759.0.1,0)

Software:

    System Software Overview:

      System Version: macOS 11.6 (20G165)
      Kernel Version: Darwin 20.6.0
      Time since boot: 6 days 23:01

Graphics/Displays:

    Intel Iris Plus Graphics 645:

      Chipset Model: Intel Iris Plus Graphics 645
      Type: GPU
      Bus: Built-In
      VRAM (Dynamic, Max): 1536 MB
      Vendor: Intel
      Device ID: 0x3ea6
      Revision ID: 0x0001
      Metal Family: Supported, Metal GPUFamily macOS 2
      Displays:
        Color LCD:
          Display Type: Built-In Retina LCD
          Resolution: 2560 x 1600 Retina
          Framebuffer Depth: 24-Bit Color (ARGB8888)
          Main Display: Yes
          Mirror: Off
          Online: Yes
          Automatically Adjust Brightness: Yes
          Connection Type: Internal

Locale: ('en_US', '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
    biopython: 1.79
    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-Clipper: 0.16.1
    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-ISOLDE: 1.2.2
    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-Phenix: 0.3
    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-StrudelScore: 0.1.10
    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
    mrcfile: 1.3.0
    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
    pandas: 1.3.4
    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
    recordtype: 1.3
    requests: 2.24.0
    scipy: 1.5.2
    Send2Trash: 1.8.0
    SEQCROW: 1.3
    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
    threed-strudel: 0.9.13
    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 (3)

comment:1 by pett, 4 years ago

Cc: Tony Schaefer added
Component: UnassignedStructure Editing
Owner: set to pett
Platform: all
Project: ChimeraX
Status: newaccepted
Summary: ChimeraX bug report submissionnew bond: map::at: key not found

comment:2 by pett, 4 years ago

Resolution: can't reproduce
Status: acceptedclosed

Would need more info to reproduce. If the atoms being bonded weren't in the same structure, the error would be different.

in reply to:  3 ; comment:3 by Tony Schaefer, 4 years ago

Yeah, I'm not sure what would cause this error. The mouse_up routine checks to see if both atoms are in the same structure, the atoms are not the same, and the atoms are not already bonded before trying to draw a new bond. Both things should also be atoms. I'll worry about this if it happens again.

Thanks,

Tony
________________________________
From: ChimeraX <ChimeraX-bugs-admin@cgl.ucsf.edu>
Sent: Friday, November 19, 2021 4:12 PM
Cc: chimerax-bug-report@cgl.ucsf.edu <chimerax-bug-report@cgl.ucsf.edu>; pett@cgl.ucsf.edu <pett@cgl.ucsf.edu>; Anthony James Schaefer <tony.schaefer@uga.edu>
Subject: Re: [ChimeraX] #5641: new bond: map::at: key not found

[EXTERNAL SENDER - PROCEED CAUTIOUSLY]


#5641: new bond: map::at: key not found
--------------------------------------------+----------------------------
          Reporter:  chimerax-bug-report@…  |      Owner:  Eric Pettersen
              Type:  defect                 |     Status:  closed
          Priority:  normal                 |  Milestone:
         Component:  Structure Editing      |    Version:
        Resolution:  can't reproduce        |   Keywords:
        Blocked By:                         |   Blocking:
Notify when closed:                         |   Platform:  all
           Project:  ChimeraX               |
--------------------------------------------+----------------------------
Changes (by Eric Pettersen):

 * status:  accepted => closed
 * resolution:   => can't reproduce


Comment:

 Would need more info to reproduce.  If the atoms being bonded weren't in
 the same structure, the error would be different.

--
Ticket URL: <https://www.rbvi.ucsf.edu/trac/ChimeraX/ticket/5641#comment:2>
ChimeraX <https://www.rbvi.ucsf.edu/chimerax/>
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