Crash in clipper.symmetry: Floating point exception

[chimerax-bug-report@…]

The following bug report has been submitted:
Platform:        Linux-6.11.0-29-generic-x86_64-with-glibc2.39
ChimeraX Version: 1.9 (2024-12-11 19:11:19 UTC)
Description
Last time you used ChimeraX it crashed.
Please describe steps that led to the crash here.
Fatal Python error: Floating point exception

Thread 0x00007fd9a78586c0 (most recent call first):
  File "/usr/lib/ucsf-chimerax/lib/python3.11/threading.py", line 324 in wait
  File "/usr/lib/ucsf-chimerax/lib/python3.11/threading.py", line 622 in wait
  File "/usr/lib/ucsf-chimerax/lib/python3.11/threading.py", line 1392 in run
  File "/usr/lib/ucsf-chimerax/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
  File "/usr/lib/ucsf-chimerax/lib/python3.11/threading.py", line 995 in _bootstrap

Current thread 0x00007fda8ebd2b80 (most recent call first):
  File "/home/snerx/.local/share/ChimeraX/1.9/lib/python3.11/site-packages/chimerax/clipper/symmetry.py", line 518 in __init__
  File "/home/snerx/.local/share/ChimeraX/1.9/lib/python3.11/site-packages/chimerax/clipper/symmetry.py", line 631 in add_model
  File "/home/snerx/.local/share/ChimeraX/1.9/lib/python3.11/site-packages/chimerax/clipper/symmetry.py", line 598 in __init__
  File "/home/snerx/.local/share/ChimeraX/1.9/lib/python3.11/site-packages/chimerax/clipper/symmetry.py", line 171 in _get_symmetry_handler
  File "/home/snerx/.local/share/ChimeraX/1.9/lib/python3.11/site-packages/chimerax/clipper/symmetry.py", line 160 in get_symmetry_handler
  File "/home/snerx/.local/share/ChimeraX/1.9/lib/python3.11/site-packages/chimerax/isolde/isolde.py", line 817 in _change_selected_model
  File "/home/snerx/.local/share/ChimeraX/1.9/lib/python3.11/site-packages/chimerax/isolde/isolde.py", line 773 in change_selected_model
  File "/home/snerx/.local/share/ChimeraX/1.9/lib/python3.11/site-packages/chimerax/isolde/isolde.py", line 436 in selected_model
  File "/home/snerx/.local/share/ChimeraX/1.9/lib/python3.11/site-packages/chimerax/isolde/ui/main_win.py", line 157 in _set_selected_model
  File "/usr/lib/ucsf-chimerax/lib/python3.11/site-packages/chimerax/ui/gui.py", line 330 in event_loop
  File "/usr/lib/ucsf-chimerax/lib/python3.11/site-packages/chimerax/core/__main__.py", line 1054 in init
  File "/usr/lib/ucsf-chimerax/lib/python3.11/site-packages/chimerax/core/__main__.py", line 1217 in 
  File "", line 88 in _run_code
  File "", line 198 in _run_module_as_main

Extension modules: chimerax.arrays._arrays, numpy.core._multiarray_umath, numpy.core._multiarray_tests, numpy.linalg._umath_linalg, numpy.fft._pocketfft_internal, numpy.random._common, numpy.random.bit_generator, numpy.random._bounded_integers, numpy.random._mt19937, numpy.random.mtrand, numpy.random._philox, numpy.random._pcg64, numpy.random._sfc64, numpy.random._generator, chimerax.geometry._geometry, PyQt6.QtCore, PyQt6.QtGui, PyQt6.QtWidgets, PyQt6.QtNetwork, PyQt6.QtPrintSupport, PyQt6.QtWebChannel, PyQt6.QtWebEngineCore, PyQt6.QtWebEngineWidgets, chimerax.atomic_lib._load_libs, tinyarray, chimerax.atomic.cymol, chimerax.atomic.cytmpl, chimerax.map._map, charset_normalizer.md, requests.packages.charset_normalizer.md, requests.packages.chardet.md, PIL._imaging, kiwisolver._cext, chimerax.surface._surface, chimerax.pdb_lib._load_libs, openmm._openmm, openmm.app.internal.compiled, OpenGL_accelerate.errorchecker, OpenGL_accelerate.wrapper, OpenGL_accelerate.formathandler, OpenGL_accelerate.arraydatatype, OpenGL_accelerate.latebind, OpenGL_accelerate.vbo, OpenGL_accelerate.numpy_formathandler, OpenGL_accelerate.nones_formathandler, cython.cimports.libc.math, scipy._lib._ccallback_c, scipy.special._ufuncs_cxx, scipy.special._ufuncs, scipy.special._specfun, scipy.special._comb, scipy.linalg._fblas, scipy.linalg._flapack, scipy.linalg.cython_lapack, scipy.linalg._cythonized_array_utils, scipy.linalg._solve_toeplitz, scipy.linalg._decomp_lu_cython, scipy.linalg._matfuncs_sqrtm_triu, scipy.linalg.cython_blas, scipy.linalg._matfuncs_expm, scipy.linalg._decomp_update, scipy.sparse._sparsetools, _csparsetools, scipy.sparse._csparsetools, scipy.sparse.linalg._dsolve._superlu, scipy.sparse.linalg._eigen.arpack._arpack, scipy.sparse.linalg._propack._spropack, scipy.sparse.linalg._propack._dpropack, scipy.sparse.linalg._propack._cpropack, scipy.sparse.linalg._propack._zpropack, scipy.sparse.csgraph._tools, scipy.sparse.csgraph._shortest_path, scipy.sparse.csgraph._traversal, scipy.sparse.csgraph._min_spanning_tree, scipy.sparse.csgraph._flow, scipy.sparse.csgraph._matching, scipy.sparse.csgraph._reordering, scipy.special._ellip_harm_2, scipy.interpolate._fitpack, scipy.interpolate._dfitpack, scipy.optimize._group_columns, scipy._lib.messagestream, scipy.optimize._trlib._trlib, scipy.optimize._lbfgsb, _moduleTNC, scipy.optimize._moduleTNC, scipy.optimize._cobyla, scipy.optimize._slsqp, scipy.optimize._minpack, scipy.optimize._lsq.givens_elimination, scipy.optimize._zeros, scipy.optimize._highs.cython.src._highs_wrapper, scipy.optimize._highs._highs_wrapper, scipy.optimize._highs.cython.src._highs_constants, scipy.optimize._highs._highs_constants, scipy.linalg._interpolative, scipy.optimize._bglu_dense, scipy.optimize._lsap, scipy.spatial._ckdtree, scipy.spatial._qhull, scipy.spatial._voronoi, scipy.spatial._distance_wrap, scipy.spatial._hausdorff, scipy.spatial.transform._rotation, scipy.optimize._direct, scipy.interpolate._bspl, scipy.interpolate._ppoly, scipy.interpolate.interpnd, scipy.interpolate._rbfinterp_pythran, scipy.interpolate._rgi_cython, chimerax.mmcif._mmcif, chimerax.mmcif.mmcif, chimerax.graphics._graphics, chimerax.atomic._ribbons, chimerax.pdb._pdbio, PyQt6.QtOpenGL, PyQt6.QtOpenGLWidgets, chimerax.atom_search.ast (total: 118)
===== Log before crash start =====
Startup Messages  
---  
note | available bundle cache has not been initialized yet  
  
UCSF ChimeraX version: 1.9 (2024-12-11)  
© 2016-2024 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> toolshed list

List of installed bundles:  

  * AddCharge (1.5.18): Add partial charges to atoms
  * AddH (2.2.6): Add hydrogens
  * AlignmentAlgorithms (2.0.2): Sequence alignment algorithms
  * AlignmentHdrs (3.5): Alignment header support
  * AlignmentMatrices (2.1): Sequence alignment similarity matrices
  * Alignments (2.16.1): Sequence alignment support
  * AlphaFold (1.0.1): Predict or fetch AlphaFold structures
  * AltlocExplorer (1.1.2): Examine/change alternate atomic locations
  * AmberInfo (1.0): Provide information about AmberTools installation
  * Arrays (1.1): C++ library for parsing numpy arrays
  * Atomic (1.58.8): Atomic-structure functionality
  * AtomicLibrary (14.1.11): Atomic-structure C++ library
  * AtomSearch (2.0.1): 3D atom search
  * AxesPlanes (2.4): Depict axes or planes
  * BasicActions (1.1.2): Basic actions for user-defined specifier names
  * BILD (1.0): BILD file reader
  * BlastProtein (3.0.0): Search PDB/NR/AlphaFold using BLAST
  * BondRot (2.0.4): Bond rotation support
  * BugReporter (1.0.1): Report bugs when an error occurs
  * BuildStructure (2.13.1): Create/modify structures
  * Bumps (1.0): Find protrusions in density maps
  * ButtonPanel (1.0.1): Create custom user interface panels
  * CageBuilder (1.0.1): Build polygonal meshes for oligomeric molecular assemblies
  * CellPack (1.0): Fetch cellPACK models from web
  * Centroids (1.4): Depict centroid of atoms
  * ChangeChains (1.1): Change chain IDs
  * CheckWaters (1.4): Check water placement in maps
  * ChemGroup (2.0.1): Detect chemically functional groups
  * Clashes (2.3): Find clashes/contacts in structures
  * Clipper (0.24.0): Clipper: Efficient handling of volumetric data and symmetry
  * ColorActions (1.0.5): Simple interface for coloring objects
  * ColorGlobe (1.0): Show directional resolution colored sphere
  * ColorKey (1.5.6): Add color key to graphics
  * CommandLine (1.2.5): Command line support
  * ConnectStructure (2.0.1): Add bonds to structures that lack them
  * Contacts (1.0.1): Display chain contact maps
  * Core (1.9): ChimeraX Core Package
  * CoreFormats (1.2): ChimeraX session support
  * coulombic (1.4.4): Compute/show electrostatic potential
  * Crosslinks (1.0): Analyze crosslinks
  * Crystal (1.0): Crystal symmetries
  * CrystalContacts (1.0.1): Show contacting asymmetric units in a crystal
  * DataFormats (1.2.3): Data format management
  * Dicom (1.2.6): Read medical imaging and segmentations in DICOM format
  * DistMonitor (1.4.2): Interactive distance display
  * DockPrep (1.1.3): Prepare structures for docking
  * Dssp (2.0): Compute/assign secondary structure
  * EMDB-SFF (1.0): EMDB SFF file reader
  * ESMFold (1.0): Predict or fetch ESMFold structures
  * FileHistory (1.0.1): File History Panel
  * FunctionKey (1.0.1): Assign function keys to run commands
  * Geometry (1.3): Vector and coordinate system routines
  * gltf (1.0): Read/write glTF 3d scene files
  * Graphics (1.4.1): OpenGL graphics rendering
  * Hbonds (2.5): Identify hydrogen bonds in and among structures
  * Help (1.3): Show ChimeraX Help
  * HKCage (1.3): Create icosahedral mesh of hexagons and pentagons
  * IHM (1.1): Integrative Hybrid Models file reader
  * ImageFormats (1.2): Support for saving images
  * IMOD (1.0): IMOD model file reader
  * IO (1.0.3): Python convenience input/output functions
  * ISOLDE (1.9): ISOLDE: Interactive Structure Optimisation by Local Direct Exploration
  * ItemsInspection (1.0.1): Inspection of attributes of a set of items
  * IUPAC (1.0): IUPAC fetch
  * KVFinder (1.2.1): Find cavities/pockets
  * Label (1.1.14): Add text labels to graphics
  * LinuxSupport (1.0.1): Linux Support
  * ListInfo (1.2.2): Report attributes for selected atomic data
  * Log (1.2): Log support
  * LookingGlass (1.1): LookingGlass holographic display
  * Maestro (1.9.1): Maestro reader
  * Map (1.3): Density maps
  * MapData (2.0): Volume data file formats
  * MapEraser (1.0.1): Map eraser
  * MapFilter (2.0.1): Operations on maps
  * MapFit (2.0): Fit molecules into maps
  * MapSeries (2.1.1): Volume series
  * Markers (1.0.1): Place markers on density maps
  * Mask (1.0.2): Mask a volume to a surface
  * MatchMaker (2.1.6): Superimpose structures
  * MCopy (1.0): Copy atomic structure attributes to another structure
  * MDcrds (2.7.2): Molecular dynamics support
  * MedicalToolbar (1.1): Toolbar for medical image analysis
  * Meeting (1.0.1): Shared interactive VR sessions.
  * MLP (1.1.1): Molecular lipophilicity calculation
  * mmCIF (2.14.2): mmCIF format read/write
  * MMTF (2.2): MMTF format read/write
  * ModelArchive (1.0): Fetch structures from Model Archive and display PAE plots
  * Modeller (1.5.18): Interface to Modeller
  * ModelPanel (1.5): ChimeraX Model Panel
  * ModelSeries (1.0.1): Display sequences of models one by one
  * Mol2 (2.0.3): Mol2 reader/writer
  * Mole (1.0): Open JSON tunnel files from Mole
  * Morph (1.0.2): Morph atomic structures
  * MouseModes (1.2): Provide right button mouse mode tool
  * Movie (1.0): Commands to record movies
  * MutationScores (1.0): Visualize deep mutational scanning data
  * Neuron (1.0): Read SWC neuron trace files
  * Nifti (1.2): Read medical images in NIfTI format
  * NMRSTAR (1.0.2): Read NMR distance restraints from NMR-STAR files
  * NRRD (1.2): Read medical images in NRRD format
  * Nucleotides (2.0.3): Create nucleotide-specific displays
  * OpenCommand (1.14): Manages 'open' command extensibility
  * OrthoPick (1.0.1): Show orthogonal views for tomogram particle picking
  * PDB (2.7.6): PDB format read/write
  * PDBBio (1.0.1): PDB biological assembly fetch
  * PDBLibrary (1.0.4): C++ PDB support
  * PDBMatrices (1.0): Crystal and biological unit matrices
  * PickBlobs (1.0.1): Measure and color blobs
  * Positions (1.0): Read and write model position matrices
  * PresetMgr (1.1.2): Preset management
  * PubChem (2.2): PubChem fetch
  * ReadPbonds (1.0.1): Read in pseudobonds from a file
  * Registration (1.1.2): Register ChimeraX
  * RemoteControl (1.0): Control ChimeraX from other apps
  * RenderByAttr (1.6.2): Depict attribute values on structures
  * RenumberResidues (1.1): Renumber residues
  * ResidueFit (1.0.1): Display fit of residues to density map
  * RestServer (1.3.1): Starts REST server to execute commands from network requests
  * RNALayout (1.0): Make RNA models
  * RotamerLibMgr (4.0): Manage rotamer libraries
  * RotamerLibsDunbrack (2.0): Dunbrack rotamer library
  * RotamerLibsDynameomics (2.0): Dynameomics rotamer library
  * RotamerLibsRichardson (2.0): Richardson rotamer libraries
  * SaveCommand (1.5.1): Manages 'save' command extensibility
  * SchemeMgr (1.0): HTTP scheme management
  * SDF (2.0.2): SDF file reader
  * Segger (1.0): Segment map
  * Segment (1.0.1): Watershed segment calculation
  * Segmentations (3.5.6): Segment any volume data
  * SelInspector (1.0): Inspect contents of selection
  * SeqView (2.14): Sequence viewer
  * Shape (1.0.1): Make models for geometric shapes
  * Shell (1.0.1): Interactive Python shell
  * Shortcuts (1.2.0): Button and keyboard shortcuts
  * ShowSequences (1.0.3): Choose/show structure sequences
  * SideView (1.0.1): Side view of scene
  * SimilarStructures (1.0.1): Visualize similar structures found using Foldseek, MMseqs2 or BLAST
  * Smiles (2.1.2): SMILES fetch
  * SmoothLines (1.0): Smooth network of lines
  * SpaceNavigator (1.0): Space Navigator device support
  * StdCommands (1.18.1): Standard commands
  * STL (1.0.1): STL file read/write
  * Storm (1.0): STORM file reader
  * StructMeasure (1.2.1): Structure measurement user interface
  * Struts (1.0.1): struts for 3D printing
  * Surface (1.0.1): Surface calculations
  * SwapAA (2.0.1): Swap amino acid
  * SwapRes (2.5): Swap residue side chains
  * TapeMeasure (1.0): Tape measure mouse mode
  * TaskManager (1.0): Manage background tasks in ChimeraX
  * Test (1.0): simple regression test
  * Toolbar (1.2.3): Toolbar
  * ToolshedUtils (1.2.4): Toolshed bundle utilities
  * Topography (1.0): Show a topographic surface for a 2D image
  * ToQuest (1.0): Copy scenes to VR Quest headset
  * Tug (1.0.1): Tug on atoms with molecular dynamics
  * UI (1.41): ChimeraX user interface
  * Umap (1.0): Utilities for installing and using UMAP
  * uniprot (2.3.1): UniProt database support
  * UnitCell (1.0.1): Show crystal unit cell
  * ViewDockX (1.4.4): Analyze ligand-receptor docking results
  * VIPERdb (1.0): Read Virus Particle Explorer .vdb files
  * Vive (1.1): Virtual reality headset support
  * VolumeMenu (1.0.1): Volume menu
  * vrml (1.0): Write basic VRML output for 3D color printing
  * VTK (1.0): Legacy VTK file reader and writer
  * WavefrontOBJ (1.0): Wavefront OBJ file read/write
  * WebCam (1.0.2): Combine camera video with graphics
  * WebServices (1.1.4): Web service and HTTP request support
  * Zone (1.0.1): Mouse mode to show atom and map zones

  

> isolde start

> set selectionWidth 4

Forcefield cache not found or out of date. Regenerating from ffXML files. This
is normal if running ISOLDE for the first time, or after upgrading OpenMM.  

Done loading forcefield  

> isolde set simFidelityMode Medium/Medium

ISOLDE: setting sim fidelity mode to Medium/Medium  
nonbonded_cutoff_distance = 0.900000  
use_gbsa = True  
gbsa_cutoff = 1.100000  

> open
> /home/snerx/c12orf29_env/MSA_ClustalO/Alphafold/A_short_named.pdbs/ovis.pdb
> format pdb

Chain information for ovis.pdb #1  
---  
Chain | Description  
A | No description available  
  
Computing secondary structure  

> open
> /home/snerx/c12orf29_env/MSA_ClustalO/Alphafold/A_short_named.pdbs/ATP_only.pdb

> open [Mg+2] fromDatabase smiles format smiles

Translated SMILES to 3D structure via NCI web service (SMILES: [Mg+2])  

> select add #3

1 atom, 1 residue, 1 model selected  

> select subtract #3

Nothing selected  

> hide #1 models

> show #1 models

> isolde tutorial

/usr/lib/ucsf-chimerax/lib/python3.11/site-packages/chimerax/ui/gui.py:330:
UserWarning: Tight layout not applied. The bottom and top margins cannot be
made large enough to accommodate all Axes decorations.  
self.exec()  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: Corrected atom nomenclature of 47 residues in model #1 to IUPAC-IUB
standards.  
Chain information for ovis.pdb  
---  
Chain | Description  
1.2/A | No description available  
  
Cached rota8000-val data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time  
Cached rota8000-leu data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time  
Cached rota8000-ile data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time  
Cached rota8000-pro data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time  
Cached rota8000-phe data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time  
Cached rota8000-tyr data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time  
Cached rota8000-trp data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time  
Cached rota8000-ser data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time  
Cached rota8000-thr data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time  
Cached rota8000-cys data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time  
Cached rota8000-met data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time  
Cached rota8000-lys data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time  
Cached rota8000-his data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time  
Cached rota8000-arg data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time  
Cached rota8000-asp data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time  
Cached rota8000-asn data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time  
Cached rota8000-gln data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time  
Cached rota8000-glu data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time  
Cached rama8000-cispro data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time  
Cached rama8000-transpro data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time  
Cached rama8000-gly-sym data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time  
Cached rama8000-prepro-noGP data not found. Regenerating from text file. This
is normal if running ISOLDE for the first time  
Cached rama8000-ileval-nopreP data not found. Regenerating from text file.
This is normal if running ISOLDE for the first time  
Cached rama8000-general-noGPIVpreP data not found. Regenerating from text
file. This is normal if running ISOLDE for the first time  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
Computing secondary structure  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  


===== Log before crash end =====

Log:
Startup Messages  
---  
note | available bundle cache has not been initialized yet  
  
UCSF ChimeraX version: 1.9 (2024-12-11)  
© 2016-2024 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  




OpenGL version: 4.6 (Core Profile) Mesa 24.2.8-1ubuntu1~24.04.1
OpenGL renderer: Mesa Intel(R) UHD Graphics 620 (WHL GT2)
OpenGL vendor: Intel

Python: 3.11.4
Locale: en_US.UTF-8
Qt version: PyQt6 6.7.1, Qt 6.7.1
Qt runtime version: 6.7.3
Qt platform: xcb

XDG_SESSION_TYPE=x11
DESKTOP_SESSION=ubuntu-xorg
XDG_SESSION_DESKTOP=ubuntu-xorg
XDG_CURRENT_DESKTOP=ubuntu:GNOME
DISPLAY=:0
Manufacturer: HP
Model: HP Laptop 15-da1xxx
OS: Ubuntu 24.04
Architecture: 64bit ELF
Virtual Machine: none
CPU: 4 Intel(R) Core(TM) i3-8145U CPU @ 2.10GHz
Cache Size: 4096 KB
Memory:
	               total        used        free      shared  buff/cache   available
	Mem:           7.6Gi       5.6Gi       203Mi       1.2Gi       3.4Gi       2.1Gi
	Swap:          4.0Gi       1.5Gi       2.5Gi

Graphics:
	00:02.0 VGA compatible controller [0300]: Intel Corporation WhiskeyLake-U GT2 [UHD Graphics 620] [8086:3ea0]	
	Subsystem: Hewlett-Packard Company WhiskeyLake-U GT2 [UHD Graphics 620] [103c:8532]	
	Kernel driver in use: i915

Installed Packages:
    alabaster: 1.0.0
    anyio: 4.7.0
    appdirs: 1.4.4
    asttokens: 3.0.0
    auditwheel: 6.1.0
    autocommand: 2.2.2
    babel: 2.16.0
    backports.tarfile: 1.2.0
    beautifulsoup4: 4.12.3
    blockdiag: 3.0.0
    blosc2: 3.0.0
    build: 1.2.1
    certifi: 2024.8.30
    cftime: 1.6.4.post1
    charset-normalizer: 3.4.0
    ChimeraX-AddCharge: 1.5.18
    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: 1.58.8
    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: 3.0.0
    ChimeraX-BondRot: 2.0.4
    ChimeraX-BugReporter: 1.0.1
    ChimeraX-BuildStructure: 2.13.1
    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-Clipper: 0.24.0
    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: 1.9
    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: 1.2.6
    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-ISOLDE: 1.9
    ChimeraX-ItemsInspection: 1.0.1
    ChimeraX-IUPAC: 1.0
    ChimeraX-KVFinder: 1.2.1
    ChimeraX-Label: 1.1.14
    ChimeraX-LinuxSupport: 1.0.1
    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: 2.7.2
    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: 1.5.18
    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: 1.6.2
    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: 3.5.6
    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: 1.3.1
    cxservices: 1.2.3
    cycler: 0.12.1
    Cython: 3.0.10
    debugpy: 1.8.9
    decorator: 5.1.1
    distro: 1.9.0
    docutils: 0.21.2
    executing: 2.1.0
    filelock: 3.15.4
    fonttools: 4.55.3
    funcparserlib: 2.0.0a0
    glfw: 2.8.0
    grako: 3.16.5
    h11: 0.14.0
    h5py: 3.12.1
    html2text: 2024.2.26
    httpcore: 1.0.7
    httpx: 0.28.1
    idna: 3.10
    ihm: 1.3
    imagecodecs: 2024.6.1
    imagesize: 1.4.1
    importlib_metadata: 8.0.0
    importlib_resources: 6.4.0
    inflect: 7.3.1
    ipykernel: 6.29.5
    ipython: 8.26.0
    ipywidgets: 8.1.5
    jaraco.context: 5.3.0
    jaraco.functools: 4.0.1
    jaraco.text: 3.12.1
    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: 3.10.3
    matplotlib: 3.9.2
    matplotlib-inline: 0.1.7
    more-itertools: 10.3.0
    msgpack: 1.0.8
    narwhals: 1.45.0
    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: 2.10.2
    numpy: 2.2.6
    numpy: 1.26.4
    openvr: 1.26.701
    ordered-set: 4.1.0
    packaging: 23.2
    packaging: 24.1
    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
    platformdirs: 4.2.2
    plotly: 6.0.1
    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
    pyKVFinder: 0.8.1
    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: 2.4.2
    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
    sniffio: 1.3.1
    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
    tomli: 2.0.1
    tomlkit: 0.13.2
    tornado: 6.4.2
    traitlets: 5.14.3
    typeguard: 4.3.0
    typing_extensions: 4.12.2
    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: 0.43.0
    wheel-filename: 1.4.1
    widgetsnbextension: 4.0.13
    zipp: 3.19.2