Opened 3 months ago

Closed 7 weeks ago

#18432 closed defect (fixed)

kvfinder KeyError: 'KAA'

Reported by: chimerax-bug-report@… Owned by: Eric Pettersen
Priority: normal Milestone:
Component: Structure Analysis Version:
Keywords: Cc:
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: 1.10.1 (2025-07-24 20:15:27 UTC)
Description
Replace this text with list of actions that caused this problem to occur

Log:
UCSF ChimeraX version: 1.10.1 (2025-07-24)  
© 2016-2025 Regents of the University of California. All rights reserved.  

> open "C:\Users\Amanda\UC Enterprise Dropbox\Amanda Board\My Papers\DHDPS
> Allostery\Tunnnel analysis\Chimera\417U .cxs" format session

Log from Thu Aug 14 14:07:07 2025UCSF ChimeraX version: 1.10.1 (2025-07-24)  
© 2016-2025 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> open "C:/Users/Amanda/UC Enterprise Dropbox/Amanda Board/My Papers/DHDPS
> Allostery/Tunnnel analysis/Chimera/4I7U_dimer.cif"

Summary of feedback from opening C:/Users/Amanda/UC Enterprise Dropbox/Amanda
Board/My Papers/DHDPS Allostery/Tunnnel analysis/Chimera/4I7U_dimer.cif  
---  
warnings | Unknown polymer entity '1' on line 36  
Unable to infer polymer connectivity due to unspecified label_seq_id for
residue "LYS" on line 2348  
Missing or incorrect sequence information. Inferred polymer connectivity.  
  
  
Chain information for 4I7U_dimer.cif #1  
---  
Chain | Description  
A | No description available  
B | No description available  
  
162 atoms have alternate locations. Control/examine alternate locations with
Altloc Explorer [start tool...] or the altlocs command.  
Computing secondary structure  

> show surfaces

> ui tool show "Side View"

> ui tool show "Find Cavities"

> kvfinder

24 cavities found for 4I7U_dimer.cif #1  
4I7U_dimer.cif Cavities  
---  
ID |  | Volume | Area | Points | Maximum  
Depth | Average  
Depth  
1.4.8 |  | 1820.02 | 1565.37 | 8426 | 11.89 | 4.19  
1.4.15 |  | 81.65 | 90.47 | 378 | 4.02 | 1.49  
1.4.5 |  | 77.54 | 95.64 | 359 | 0 | 0  
1.4.12 |  | 69.34 | 80.51 | 321 | 0 | 0  
1.4.2 |  | 66.96 | 76.05 | 310 | 2.75 | 1.14  
1.4.13 |  | 60.91 | 79.98 | 282 | 3.06 | 1.57  
1.4.9 |  | 55.08 | 60.02 | 255 | 2.47 | 0.83  
1.4.3 |  | 53.57 | 71.1 | 248 | 3.89 | 2.04  
1.4.14 |  | 50.54 | 57.97 | 234 | 2.16 | 0.79  
1.4.1 |  | 49.03 | 50.06 | 227 | 2.4 | 0.65  
1.4.17 |  | 39.53 | 60.13 | 183 | 0 | 0  
1.4.4 |  | 37.58 | 54.99 | 174 | 2.47 | 1.14  
1.4.16 |  | 28.51 | 30.94 | 132 | 1.8 | 0.51  
1.4.7 |  | 27.86 | 39.74 | 129 | 1.7 | 0.54  
1.4.19 |  | 21.82 | 40.63 | 101 | 0 | 0  
1.4.18 |  | 19.87 | 25.08 | 92 | 1.47 | 0.41  
1.4.23 |  | 13.82 | 24 | 64 | 1.2 | 0.24  
1.4.6 |  | 12.31 | 29.54 | 57 | 0 | 0  
1.4.11 |  | 12.31 | 29.54 | 57 | 0 | 0  
1.4.21 |  | 12.31 | 29.54 | 57 | 0 | 0  
1.4.22 |  | 12.1 | 21.88 | 56 | 1.34 | 0.46  
1.4.20 |  | 7.56 | 17.37 | 35 | 0.6 | 0.21  
1.4.10 |  | 7.13 | 18.01 | 33 | 0.6 | 0.11  
1.4.24 |  | 6.26 | 13.64 | 29 | 0.6 | 0.04  
  

> kvfinder volumeCutoff 150

1 cavities found for 4I7U_dimer.cif #1  
4I7U_dimer.cif Cavities  
---  
ID |  | Volume | Area | Points | Maximum  
Depth | Average  
Depth  
1.4.1 |  | 1820.02 | 1565.37 | 8426 | 11.89 | 4.19  
  

> kvfinder probeOut 5 volumeCutoff 120

1 cavities found for 4I7U_dimer.cif #1  
4I7U_dimer.cif Cavities  
---  
ID |  | Volume | Area | Points | Maximum  
Depth | Average  
Depth  
1.4.1 |  | 1984.18 | 1696.67 | 9186 | 12.49 | 4.56  
  

> kvfinder probeOut 7 volumeCutoff 120

2 cavities found for 4I7U_dimer.cif #1  
4I7U_dimer.cif Cavities  
---  
ID |  | Volume | Area | Points | Maximum  
Depth | Average  
Depth  
1.4.1 |  | 2362.82 | 1902.5 | 10939 | 13.7 | 5.04  
1.4.2 |  | 650.38 | 561.42 | 3011 | 3.45 | 0.89  
  

> kvfinder probeIn 5 probeOut 5 volumeCutoff 120

0 cavities found for 4I7U_dimer.cif #1  

> kvfinder probeIn 5 probeOut 5 volumeCutoff 120

0 cavities found for 4I7U_dimer.cif #1  

> kvfinder probeIn 4 probeOut 5 volumeCutoff 120

0 cavities found for 4I7U_dimer.cif #1  

> kvfinder probeIn 3 probeOut 5 volumeCutoff 120

1 cavities found for 4I7U_dimer.cif #1  
4I7U_dimer.cif Cavities  
---  
ID |  | Volume | Area | Points | Maximum  
Depth | Average  
Depth  
1.4.1 |  | 200.02 | 168.6 | 926 | 6.95 | 3.81  
  

> kvfinder probeIn 3 probeOut 5 volumeCutoff 150

1 cavities found for 4I7U_dimer.cif #1  
4I7U_dimer.cif Cavities  
---  
ID |  | Volume | Area | Points | Maximum  
Depth | Average  
Depth  
1.4.1 |  | 200.02 | 168.6 | 926 | 6.95 | 3.81  
  

> kvfinder probeIn 3 probeOut 5 volumeCutoff 80

1 cavities found for 4I7U_dimer.cif #1  
4I7U_dimer.cif Cavities  
---  
ID |  | Volume | Area | Points | Maximum  
Depth | Average  
Depth  
1.4.1 |  | 200.02 | 168.6 | 926 | 6.95 | 3.81  
  

> kvfinder probeIn 2 probeOut 5 volumeCutoff 80

3 cavities found for 4I7U_dimer.cif #1  
4I7U_dimer.cif Cavities  
---  
ID |  | Volume | Area | Points | Maximum  
Depth | Average  
Depth  
1.4.3 |  | 627.05 | 377.33 | 2903 | 8.16 | 3.47  
1.4.1 |  | 150.55 | 130.04 | 697 | 5.13 | 1.96  
1.4.2 |  | 131.54 | 115.47 | 609 | 4.69 | 1.67  
  

> kvfinder probeIn 1 probeOut 5 volumeCutoff 80

9 cavities found for 4I7U_dimer.cif #1  
4I7U_dimer.cif Cavities  
---  
ID |  | Volume | Area | Points | Maximum  
Depth | Average  
Depth  
1.4.1 |  | 2550.31 | 2512.09 | 11807 | 14.37 | 4.55  
1.4.8 |  | 136.3 | 169.84 | 631 | 5.3 | 1  
1.4.9 |  | 133.06 | 171.05 | 616 | 3.84 | 0.63  
1.4.3 |  | 131.76 | 186.75 | 610 | 9.69 | 4.98  
1.4.4 |  | 130.25 | 191.2 | 603 | 6.79 | 1.9  
1.4.5 |  | 122.9 | 161.47 | 569 | 9.02 | 5.04  
1.4.6 |  | 112.97 | 158.33 | 523 | 6.63 | 1.79  
1.4.7 |  | 112.97 | 121.27 | 523 | 6.03 | 2.39  
1.4.2 |  | 92.45 | 104.62 | 428 | 5.23 | 2  
  

> kvfinder probeIn 1.5 probeOut 5 volumeCutoff 80

6 cavities found for 4I7U_dimer.cif #1  
4I7U_dimer.cif Cavities  
---  
ID |  | Volume | Area | Points | Maximum  
Depth | Average  
Depth  
1.4.3 |  | 1059.05 | 704.8 | 4903 | 14.52 | 5.63  
1.4.1 |  | 488.59 | 455.76 | 2262 | 11.8 | 4.03  
1.4.2 |  | 402.41 | 386.08 | 1863 | 9.33 | 3.3  
1.4.4 |  | 102.38 | 104.23 | 474 | 5.97 | 2.35  
1.4.5 |  | 101.95 | 116.9 | 472 | 2.16 | 0.57  
1.4.6 |  | 82.3 | 89.01 | 381 | 1.7 | 0.4  
  

> save "C:/Users/Amanda/UC Enterprise Dropbox/Amanda Board/My Papers/DHDPS
> Allostery/Tunnnel analysis/Chimera/417U .cxs"

——— End of log from Thu Aug 14 14:07:07 2025 ———

> view name session-start

opened ChimeraX session  

> set bgColor white

> lighting flat

> lighting shadows true intensity 0.5

> graphics silhouettes false

> graphics silhouettes true

> lighting flat

> lighting full

> lighting soft

> lighting simple

> graphics silhouettes false

> volume style surface

No volumes specified  

> transparency 50

> transparency 0

> transparency 50

> hide cartoons

> color blue

> undo

> ui tool show "Color Actions"

> color cyan target s

> color forest green target s

[Repeated 1 time(s)]

> color lime target s

> color white target s

> color light gray target s

> show surfaces

> transparency 0

> ui tool show "Find Cavities"

> ui tool show "Color Actions"

> color light sea green target s

> color magenta target s

> color cyan target s

> color light sea green target s

> ui tool show "Side View"

> kvfinder volumeCutoff 120

1 cavities found for 4I7U_dimer.cif #1  
4I7U_dimer.cif Cavities  
---  
ID |  | Volume | Area | Points | Maximum  
Depth | Average  
Depth  
1.4.1 |  | 1820.02 | 1565.37 | 8426 | 11.89 | 4.19  
  

> kvfinder probeIn 4 volumeCutoff 120

0 cavities found for 4I7U_dimer.cif #1  

> kvfinder probeIn 4 volumeCutoff 100

0 cavities found for 4I7U_dimer.cif #1  

> kvfinder probeIn 2 volumeCutoff 100

3 cavities found for 4I7U_dimer.cif #1  
4I7U_dimer.cif Cavities  
---  
ID |  | Volume | Area | Points | Maximum  
Depth | Average  
Depth  
1.4.3 |  | 564.62 | 352.06 | 2614 | 7.42 | 2.95  
1.4.1 |  | 119.45 | 102.19 | 553 | 4.84 | 1.91  
1.4.2 |  | 114.26 | 101.03 | 529 | 4.02 | 1.46  
  

> view #1.4.3 @< 3.5

> zoom 0.75

moved plane near -24.149157428816153 [-0.838716 -0.4664705 0.28099963]  
moved plane far -24.149157428816153 [-0.838716 -0.4664705 0.28099963]  

> surface #1.4.1-3 probeRadius 2.0 transparency 50

> ~surface #1.4

> surface #1.4.3 probeRadius 2.0

> show #!1/A:48-53,56,78-81,84,88,106/B:42,48-53,56,78-81,84,88,106-107

> kvfinder probeIn 0.5 volumeCutoff 100

5 cavities found for 4I7U_dimer.cif #1  
Traceback (most recent call last):  
File "C:\Program Files\ChimeraX 1.10.1\bin\Lib\site-
packages\chimerax\kvfinder\tool.py", line 136, in find_cavities  
run(self.session, cmd)  
File "C:\Program Files\ChimeraX 1.10.1\bin\Lib\site-
packages\chimerax\core\commands\run.py", line 49, in run  
results = command.run(text, log=log, return_json=return_json)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File "C:\Program Files\ChimeraX 1.10.1\bin\Lib\site-
packages\chimerax\core\commands\cli.py", line 3221, in run  
result = ci.function(session, **kw_args)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File "C:\Program Files\ChimeraX 1.10.1\bin\Lib\site-
packages\chimerax\kvfinder\cmd.py", line 118, in cmd_kvfinder  
contacting[cav_s] = contacting[k_index]  
~~~~~~~~~~^^^^^^^^^  
KeyError: 'KAA'  
  
KeyError: 'KAA'  
  
File "C:\Program Files\ChimeraX 1.10.1\bin\Lib\site-
packages\chimerax\kvfinder\cmd.py", line 118, in cmd_kvfinder  
contacting[cav_s] = contacting[k_index]  
~~~~~~~~~~^^^^^^^^^  
  
See log for complete Python traceback.  
  

> kvfinder probeIn 0.5 volumeCutoff 100

5 cavities found for 4I7U_dimer.cif #1  
Traceback (most recent call last):  
File "C:\Program Files\ChimeraX 1.10.1\bin\Lib\site-
packages\chimerax\kvfinder\tool.py", line 136, in find_cavities  
run(self.session, cmd)  
File "C:\Program Files\ChimeraX 1.10.1\bin\Lib\site-
packages\chimerax\core\commands\run.py", line 49, in run  
results = command.run(text, log=log, return_json=return_json)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File "C:\Program Files\ChimeraX 1.10.1\bin\Lib\site-
packages\chimerax\core\commands\cli.py", line 3221, in run  
result = ci.function(session, **kw_args)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File "C:\Program Files\ChimeraX 1.10.1\bin\Lib\site-
packages\chimerax\kvfinder\cmd.py", line 118, in cmd_kvfinder  
contacting[cav_s] = contacting[k_index]  
~~~~~~~~~~^^^^^^^^^  
KeyError: 'KAA'  
  
KeyError: 'KAA'  
  
File "C:\Program Files\ChimeraX 1.10.1\bin\Lib\site-
packages\chimerax\kvfinder\cmd.py", line 118, in cmd_kvfinder  
contacting[cav_s] = contacting[k_index]  
~~~~~~~~~~^^^^^^^^^  
  
See log for complete Python traceback.  
  




OpenGL version: 3.3.0 NVIDIA 516.69
OpenGL renderer: Quadro M1000M/PCIe/SSE2
OpenGL vendor: NVIDIA Corporation

Python: 3.11.4
Locale: en_NZ.cp1252
Qt version: PyQt6 6.8.1, Qt 6.8.2
Qt runtime version: 6.8.2
Qt platform: windows

Manufacturer: HP
Model: HP ZBook 17 G3
OS: Microsoft Windows 10 Pro (Build 19045)
Memory: 17,054,662,656
MaxProcessMemory: 137,438,953,344
CPU: 8 Intel(R) Core(TM) i7-6700HQ CPU @ 2.60GHz
OSLanguage: en-US

Installed Packages:
    alabaster: 1.0.0
    appdirs: 1.4.4
    asttokens: 3.0.0
    babel: 2.17.0
    beautifulsoup4: 4.13.3
    blockdiag: 3.0.0
    blosc2: 3.6.1
    build: 1.2.2.post1
    certifi: 2025.7.14
    cftime: 1.6.4.post1
    charset-normalizer: 3.4.2
    ChimeraX-AddCharge: 1.5.19
    ChimeraX-AddH: 2.2.7
    ChimeraX-AlignmentAlgorithms: 2.0.2
    ChimeraX-AlignmentHdrs: 3.6.1
    ChimeraX-AlignmentMatrices: 2.1
    ChimeraX-Alignments: 2.20.2
    ChimeraX-AlphaFold: 1.0.1
    ChimeraX-AltlocExplorer: 1.1.2
    ChimeraX-AmberInfo: 1.0
    ChimeraX-Aniso: 1.1.4
    ChimeraX-Arrays: 1.1
    ChimeraX-Atomic: 1.60.7
    ChimeraX-AtomicLibrary: 14.1.19
    ChimeraX-AtomSearch: 2.0.1
    ChimeraX-AxesPlanes: 2.4
    ChimeraX-BasicActions: 1.1.3
    ChimeraX-BILD: 1.0
    ChimeraX-BlastProtein: 3.0.0
    ChimeraX-Boltz: 1.0
    ChimeraX-BondRot: 2.0.4
    ChimeraX-BugReporter: 1.0.2
    ChimeraX-BuildStructure: 2.13.1
    ChimeraX-Bumps: 1.0
    ChimeraX-BundleBuilder: 1.5.1
    ChimeraX-ButtonPanel: 1.0.1
    ChimeraX-CageBuilder: 1.0.1
    ChimeraX-CellPack: 1.0
    ChimeraX-Centroids: 1.4
    ChimeraX-ChangeChains: 1.1
    ChimeraX-CheckWaters: 1.5
    ChimeraX-ChemGroup: 2.0.2
    ChimeraX-Clashes: 2.3
    ChimeraX-ColorActions: 1.0.5
    ChimeraX-ColorGlobe: 1.0
    ChimeraX-ColorKey: 1.5.8
    ChimeraX-CommandLine: 1.3
    ChimeraX-ConnectStructure: 2.0.1
    ChimeraX-Contacts: 1.0.1
    ChimeraX-Core: 1.10.1
    ChimeraX-CoreFormats: 1.2
    ChimeraX-coulombic: 1.4.5
    ChimeraX-Crosslinks: 1.0
    ChimeraX-Crystal: 1.0
    ChimeraX-CrystalContacts: 1.0.1
    ChimeraX-DataFormats: 1.2.4
    ChimeraX-Dicom: 1.2.7
    ChimeraX-DistMonitor: 1.4.2
    ChimeraX-DockPrep: 1.1.4
    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: 2.5.1
    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: 1.6.2
    ChimeraX-Label: 1.1.14
    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: 2.2.2
    ChimeraX-MCopy: 1.0
    ChimeraX-MDcrds: 2.10.1
    ChimeraX-MedicalToolbar: 1.1
    ChimeraX-Meeting: 1.0.1
    ChimeraX-MLP: 1.1.1
    ChimeraX-mmCIF: 2.16
    ChimeraX-MMTF: 2.2
    ChimeraX-ModelArchive: 1.0
    ChimeraX-Modeller: 1.5.19
    ChimeraX-ModelPanel: 1.5.1
    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: 1.14.1
    ChimeraX-OrthoPick: 1.0.1
    ChimeraX-PDB: 2.7.10
    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: 1.1.3
    ChimeraX-ProfileGrids: 1.1.3
    ChimeraX-PubChem: 2.2
    ChimeraX-ReadPbonds: 1.0.1
    ChimeraX-Registration: 1.1.2
    ChimeraX-RemoteControl: 1.0
    ChimeraX-RenderByAttr: 1.6.3
    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: 2.0.3
    ChimeraX-Segger: 1.0
    ChimeraX-Segment: 1.0.1
    ChimeraX-Segmentations: 3.5.7
    ChimeraX-SelInspector: 1.0
    ChimeraX-SeqView: 2.17.1
    ChimeraX-Shape: 1.1
    ChimeraX-Shell: 1.0.1
    ChimeraX-Shortcuts: 1.2.1
    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: 1.19.1
    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: 2.5.2
    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: 1.45.2
    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: 1.1.5
    ChimeraX-Zone: 1.0.1
    colorama: 0.4.6
    comm: 0.2.2
    comtypes: 1.4.10
    contourpy: 1.3.2
    coverage: 7.10.0
    cxservices: 1.2.3
    cycler: 0.12.1
    Cython: 3.0.12
    debugpy: 1.8.15
    decorator: 5.2.1
    docutils: 0.21.2
    executing: 2.2.0
    filelock: 3.18.0
    fonttools: 4.59.0
    funcparserlib: 2.0.0a0
    glfw: 2.9.0
    grako: 3.16.5
    h5py: 3.14.0
    html2text: 2024.2.26
    idna: 3.10
    ihm: 2.2
    imagecodecs: 2024.6.1
    imagesize: 1.4.1
    iniconfig: 2.1.0
    ipykernel: 6.29.5
    ipython: 8.26.0
    ipywidgets: 8.1.7
    jedi: 0.19.1
    Jinja2: 3.1.6
    jupyter_client: 8.6.3
    jupyter_core: 5.8.1
    jupyterlab_widgets: 3.0.15
    kiwisolver: 1.4.8
    line_profiler: 4.2.0
    lxml: 5.3.1
    lz4: 4.3.2
    MarkupSafe: 3.0.2
    matplotlib: 3.10.1
    matplotlib-inline: 0.1.7
    msgpack: 1.1.0
    narwhals: 2.0.1
    ndindex: 1.10.0
    nest-asyncio: 1.6.0
    netCDF4: 1.6.5
    networkx: 3.3
    nibabel: 5.2.0
    nptyping: 2.5.0
    numexpr: 2.11.0
    numpy: 2.2.6
    numpy: 1.26.4
    nvidia-nvjitlink-cu12: 12.9.86
    OpenMM: 8.2.0
    OpenMM-CUDA-12: 8.2.0
    openvr: 1.26.701
    packaging: 24.2
    ParmEd: 4.2.2
    parso: 0.8.4
    pep517: 0.13.1
    pickleshare: 0.7.5
    pillow: 10.4.0
    pip: 25.0.1
    pkginfo: 1.11.1
    platformdirs: 4.3.8
    plotly: 6.0.1
    pluggy: 1.6.0
    prompt_toolkit: 3.0.51
    psutil: 7.0.0
    pure_eval: 0.2.3
    py-cpuinfo: 9.0.0
    pycollada: 0.8
    pydicom: 2.4.4
    Pygments: 2.18.0
    pyKVFinder: 0.8.1
    pynmrstar: 3.3.5
    pynrrd: 1.0.0
    PyOpenGL: 3.1.9
    PyOpenGL-accelerate: 3.1.9
    pyopenxr: 1.1.4501
    pyparsing: 3.2.3
    pyproject_hooks: 1.2.0
    PyQt6-commercial: 6.8.1
    PyQt6-Qt6: 6.8.2
    PyQt6-WebEngine-commercial: 6.8.0
    PyQt6-WebEngine-Qt6: 6.8.2
    PyQt6_sip: 13.10.0
    pytest: 8.4.1
    pytest-cov: 6.2.1
    python-dateutil: 2.9.0.post0
    pytz: 2025.2
    pywin32: 310
    pyzmq: 27.0.0
    qtconsole: 5.5.2
    QtPy: 2.4.3
    qtshim: 1.1
    RandomWords: 0.4.0
    requests: 2.32.3
    roman-numerals-py: 3.1.0
    scipy: 1.14.0
    setuptools: 78.1.0
    sfftk-rw: 0.8.1
    six: 1.16.0
    snowballstemmer: 3.0.1
    sortedcontainers: 2.4.0
    soupsieve: 2.7
    Sphinx: 8.2.3
    sphinx-autodoc-typehints: 3.1.0
    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: 0.7.1
    tables: 3.10.2
    tcia_utils: 1.5.1
    tifffile: 2025.3.13
    tinyarray: 1.2.4
    tomlkit: 0.13.2
    tornado: 6.5.1
    traitlets: 5.14.3
    typing_extensions: 4.14.1
    tzdata: 2025.2
    urllib3: 2.5.0
    wcwidth: 0.2.13
    webcolors: 24.11.1
    wheel: 0.45.1
    wheel-filename: 1.4.2
    widgetsnbextension: 4.0.14
    WMI: 1.5.1

Change History (4)

comment:1 by Tom Goddard, 3 months ago

Component: UnassignedStructure Analysis
Owner: set to Eric Pettersen
Platform: all
Project: ChimeraX
Status: newassigned
Summary: ChimeraX bug report submissionkvfinder KeyError: 'KAA'

comment:2 by Eric Pettersen, 3 months ago

Status: assignedaccepted

comment:3 by Eric Pettersen, 7 weeks ago

Only happens for small probes. Sent mail to João asking for guidance.

comment:4 by Eric Pettersen, 7 weeks ago

Resolution: fixed
Status: acceptedclosed

Fixed by pyKVFinder 0.8.3

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