blob recognize: user provided file name instead of model ID

[chimerax-bug-report@…]

The following bug report has been submitted:
Platform:        Windows-10-10.0.26100
ChimeraX Version: 1.8.dev202401142228 (2024-01-14 22:28:37 UTC)
Description
(Describe the actions that caused this problem to occur here)

Log:
Startup Messages  
---  
warnings | Replacing fetcher for 'pdb_nmr' and format NMRSTAR from NMRSTAR
bundle with that from NMRSTAR bundle  
Replacing fetcher for 'pdb_nmr' and format NMRSTAR from NMRSTAR bundle with
that from NMRSTAR bundle  
  
UCSF ChimeraX version: 1.8.dev202401142228 (2024-01-14)  
© 2016-2024 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> help help:user

> toolshed list

List of installed bundles:  

  * AddCharge (1.5.15): Add partial charges to atoms
  * AddH (2.2.5): Add hydrogens
  * AlignmentAlgorithms (2.0.1): Sequence alignment algorithms
  * AlignmentHdrs (3.4.3): Alignment header support
  * AlignmentMatrices (2.1): Sequence alignment similarity matrices
  * Alignments (2.12.3): Sequence alignment support
  * AlphaFold (1.0): Predict or fetch AlphaFold structures
  * AltlocExplorer (1.1.1): Examine/change alternate atomic locations
  * AmberInfo (1.0): Provide information about AmberTools installation
  * Arrays (1.1): C++ library for parsing numpy arrays
  * Atomic (1.52): Atomic-structure functionality
  * AtomicLibrary (12.1.4): 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 (2.1.2): Search PDB/NR/AlphaFold using BLAST
  * BondRot (2.0.4): Bond rotation support
  * BugReporter (1.0.1): Report bugs when an error occurs
  * BuildStructure (2.11): 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 (1.3.2): Check water placement in maps
  * ChemGroup (2.0.1): Detect chemically functional groups
  * Clashes (2.2.4): Find clashes/contacts in structures
  * Clipper (0.22.4): Clipper: Efficient handling of volumetric data and symmetry
  * ColorActions (1.0.3): Simple interface for coloring objects
  * ColorGlobe (1.0): Show directional resolution colored sphere
  * ColorKey (1.5.5): 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 (1.8.dev202401142228): ChimeraX Core Package
  * CoreFormats (1.2): ChimeraX session support
  * coulombic (1.4.3): 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): Read medical imaging and segmentations in DICOM format
  * DistMonitor (1.4): 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 (1.1.1): OpenGL graphics rendering
  * Hbonds (2.4): Identify hydrogen bonds in and among structures
  * Help (1.2.2): 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 (1.0.1): Python convenience input/output functions
  * ISOLDE (1.7.1): 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
  * Label (1.1.9): Add text labels to graphics
  * LigandRecognizer (0.2): This tool uses a PDB model (.pdb or .cif) and corresponding density map (.cpp4) to validate/identify ligands.
  * ListInfo (1.2.2): Report attributes for selected atomic data
  * Log (1.1.6): Log support
  * LookingGlass (1.1): LookingGlass holographic display
  * Maestro (1.9.1): Maestro reader
  * Map (1.1.4): 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 (2.1.2): Superimpose structures
  * MCopy (1.0): Copy atomic structure attributes to another structure
  * MDcrds (2.6.1): Molecular dynamics support
  * MedicalToolbar (1.0.2): Toolbar for medical image analysis
  * Meeting (1.0.1): Shared interactive VR sessions.
  * MLP (1.1.1): Molecular lipophilicity calculation
  * mmCIF (2.12.1): mmCIF format read/write
  * MMTF (2.2): MMTF format read/write
  * Modeller (1.5.15): 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
  * Neuron (1.0): Read SWC neuron trace files
  * Nifti (1.1): Read medical images in NIfTI format
  * NMRSTAR (1.0.1): Read NMR distance restraints from NMR-STAR files
  * NRRD (1.1): Read medical images in NRRD format
  * Nucleotides (2.0.3): Create nucleotide-specific displays
  * OpenCommand (1.13.1): Manages 'open' command extensibility
  * PDB (2.7.3): 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): Preset management
  * PubChem (2.1): 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 (1.2.1): Depict attribute values on structures
  * RenumberResidues (1.1): Renumber residues
  * ResidueFit (1.0.1): Display fit of residues to density map
  * RestServer (1.2): 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
  * SelInspector (1.0): Inspect contents of selection
  * SeqView (2.11.1): Sequence viewer
  * Shape (1.0.1): Make models for geometric shapes
  * Shell (1.0.1): Interactive Python shell
  * Shortcuts (1.1.1): Button and keyboard shortcuts
  * ShowSequences (1.0.2): Choose/show structure sequences
  * SideView (1.0.1): Side view of scene
  * Smiles (2.1.2): SMILES fetch
  * SmoothLines (1.0): Smooth network of lines
  * SpaceNavigator (1.0): Space Navigator device support
  * StdCommands (1.15): Standard commands
  * STL (1.0.1): STL file read/write
  * Storm (1.0): STORM file reader
  * StructMeasure (1.1.2): 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 (2.2.2): 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 (1.1.2): 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 (1.33.5): ChimeraX user interface
  * uniprot (2.3): UniProt database support
  * UnitCell (1.0.1): Show crystal unit cell
  * ViewDockX (1.3.2): 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 (1.1.3): Web service and HTTP request support
  * Zone (1.0.1): Mouse mode to show atom and map zones

  

> toolshed list

List of installed bundles:  

  * AddCharge (1.5.15): Add partial charges to atoms
  * AddH (2.2.5): Add hydrogens
  * AlignmentAlgorithms (2.0.1): Sequence alignment algorithms
  * AlignmentHdrs (3.4.3): Alignment header support
  * AlignmentMatrices (2.1): Sequence alignment similarity matrices
  * Alignments (2.12.3): Sequence alignment support
  * AlphaFold (1.0): Predict or fetch AlphaFold structures
  * AltlocExplorer (1.1.1): Examine/change alternate atomic locations
  * AmberInfo (1.0): Provide information about AmberTools installation
  * Arrays (1.1): C++ library for parsing numpy arrays
  * Atomic (1.52): Atomic-structure functionality
  * AtomicLibrary (12.1.4): 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 (2.1.2): Search PDB/NR/AlphaFold using BLAST
  * BondRot (2.0.4): Bond rotation support
  * BugReporter (1.0.1): Report bugs when an error occurs
  * BuildStructure (2.11): 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 (1.3.2): Check water placement in maps
  * ChemGroup (2.0.1): Detect chemically functional groups
  * Clashes (2.2.4): Find clashes/contacts in structures
  * Clipper (0.22.4): Clipper: Efficient handling of volumetric data and symmetry
  * ColorActions (1.0.3): Simple interface for coloring objects
  * ColorGlobe (1.0): Show directional resolution colored sphere
  * ColorKey (1.5.5): 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 (1.8.dev202401142228): ChimeraX Core Package
  * CoreFormats (1.2): ChimeraX session support
  * coulombic (1.4.3): 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): Read medical imaging and segmentations in DICOM format
  * DistMonitor (1.4): 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 (1.1.1): OpenGL graphics rendering
  * Hbonds (2.4): Identify hydrogen bonds in and among structures
  * Help (1.2.2): 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 (1.0.1): Python convenience input/output functions
  * ISOLDE (1.7.1): 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
  * Label (1.1.9): Add text labels to graphics
  * LigandRecognizer (0.2): This tool uses a PDB model (.pdb or .cif) and corresponding density map (.cpp4) to validate/identify ligands.
  * ListInfo (1.2.2): Report attributes for selected atomic data
  * Log (1.1.6): Log support
  * LookingGlass (1.1): LookingGlass holographic display
  * Maestro (1.9.1): Maestro reader
  * Map (1.1.4): 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 (2.1.2): Superimpose structures
  * MCopy (1.0): Copy atomic structure attributes to another structure
  * MDcrds (2.6.1): Molecular dynamics support
  * MedicalToolbar (1.0.2): Toolbar for medical image analysis
  * Meeting (1.0.1): Shared interactive VR sessions.
  * MLP (1.1.1): Molecular lipophilicity calculation
  * mmCIF (2.12.1): mmCIF format read/write
  * MMTF (2.2): MMTF format read/write
  * Modeller (1.5.15): 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
  * Neuron (1.0): Read SWC neuron trace files
  * Nifti (1.1): Read medical images in NIfTI format
  * NMRSTAR (1.0.1): Read NMR distance restraints from NMR-STAR files
  * NRRD (1.1): Read medical images in NRRD format
  * Nucleotides (2.0.3): Create nucleotide-specific displays
  * OpenCommand (1.13.1): Manages 'open' command extensibility
  * PDB (2.7.3): 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): Preset management
  * PubChem (2.1): 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 (1.2.1): Depict attribute values on structures
  * RenumberResidues (1.1): Renumber residues
  * ResidueFit (1.0.1): Display fit of residues to density map
  * RestServer (1.2): 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
  * SelInspector (1.0): Inspect contents of selection
  * SeqView (2.11.1): Sequence viewer
  * Shape (1.0.1): Make models for geometric shapes
  * Shell (1.0.1): Interactive Python shell
  * Shortcuts (1.1.1): Button and keyboard shortcuts
  * ShowSequences (1.0.2): Choose/show structure sequences
  * SideView (1.0.1): Side view of scene
  * Smiles (2.1.2): SMILES fetch
  * SmoothLines (1.0): Smooth network of lines
  * SpaceNavigator (1.0): Space Navigator device support
  * StdCommands (1.15): Standard commands
  * STL (1.0.1): STL file read/write
  * Storm (1.0): STORM file reader
  * StructMeasure (1.1.2): 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 (2.2.2): 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 (1.1.2): 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 (1.33.5): ChimeraX user interface
  * uniprot (2.3): UniProt database support
  * UnitCell (1.0.1): Show crystal unit cell
  * ViewDockX (1.3.2): 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 (1.1.3): Web service and HTTP request support
  * Zone (1.0.1): Mouse mode to show atom and map zones

  

> toolshed reload LigandRecognizer

Expected one of 'all', 'available', 'cache', or 'installed' or fewer arguments  

> toolshed reload installed LigandRecognizer

Expected fewer arguments  

> open "C:\Users\User\Downloads\cryosparc_P150_J594_007_volume_map_sharp
> (1).mrc" format mrc

Opened cryosparc_P150_J594_007_volume_map_sharp (1).mrc as #1, grid size
480,480,480, pixel 0.646, shown at level 0.0354, step 2, values float32  

> toolshed install LigandRecognizer

ChimeraX-LigandRecognizer (0.2) is already installed  

> toolshed reload LigandRecognizer

Expected one of 'all', 'available', 'cache', or 'installed' or fewer arguments  

> toolshed reload LigandRecognizer installed

Expected one of 'all', 'available', 'cache', or 'installed' or fewer arguments  

> installed reload LigandRecognizer

Unknown command: toolshed installed reload LigandRecognizer  

> toolshed reload installed LigandRecognizer

Expected fewer arguments  

> toolshed reload LigandRecognizer

Expected one of 'all', 'available', 'cache', or 'installed' or fewer arguments  

> toolshed reload installed LigandRecognizer

Expected fewer arguments  

> toolshed reload installed LigandRecognizer

Expected fewer arguments  

> toolshed reload all LigandRecognizer

Expected fewer arguments  

> toolshed reload installed LigandRecognizer

Expected fewer arguments  

> toolshed show LigandRecognizer

Cannot find bundle 'LigandRecognizer' in Toolshed  

> toolshed show LigandRecognizer (0.2)

Expected a keyword  

> toolshed show LigandRecognizer

Cannot find bundle 'LigandRecognizer' in Toolshed  

> toolshed show LigandRecognizer 0.2

Expected a keyword  

> toolshed show [LigandRecognize]

Cannot find bundle '[LigandRecognize]' in Toolshed  

> toolshed show LigandRecognizer

Cannot find bundle 'LigandRecognizer' in Toolshed  

> toolshed install LigandRecognizer

ChimeraX-LigandRecognizer (0.2) is already installed  

> toolshedshowLigandRecognizer

Unknown command: toolshedshowLigandRecognizer  

> toolshed show LigandRecognizer

Cannot find bundle 'LigandRecognizer' in Toolshed  

> toolshed list

List of installed bundles:  

  * AddCharge (1.5.15): Add partial charges to atoms
  * AddH (2.2.5): Add hydrogens
  * AlignmentAlgorithms (2.0.1): Sequence alignment algorithms
  * AlignmentHdrs (3.4.3): Alignment header support
  * AlignmentMatrices (2.1): Sequence alignment similarity matrices
  * Alignments (2.12.3): Sequence alignment support
  * AlphaFold (1.0): Predict or fetch AlphaFold structures
  * AltlocExplorer (1.1.1): Examine/change alternate atomic locations
  * AmberInfo (1.0): Provide information about AmberTools installation
  * Arrays (1.1): C++ library for parsing numpy arrays
  * Atomic (1.52): Atomic-structure functionality
  * AtomicLibrary (12.1.4): 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 (2.1.2): Search PDB/NR/AlphaFold using BLAST
  * BondRot (2.0.4): Bond rotation support
  * BugReporter (1.0.1): Report bugs when an error occurs
  * BuildStructure (2.11): 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 (1.3.2): Check water placement in maps
  * ChemGroup (2.0.1): Detect chemically functional groups
  * Clashes (2.2.4): Find clashes/contacts in structures
  * Clipper (0.22.4): Clipper: Efficient handling of volumetric data and symmetry
  * ColorActions (1.0.3): Simple interface for coloring objects
  * ColorGlobe (1.0): Show directional resolution colored sphere
  * ColorKey (1.5.5): 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 (1.8.dev202401142228): ChimeraX Core Package
  * CoreFormats (1.2): ChimeraX session support
  * coulombic (1.4.3): 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): Read medical imaging and segmentations in DICOM format
  * DistMonitor (1.4): 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 (1.1.1): OpenGL graphics rendering
  * Hbonds (2.4): Identify hydrogen bonds in and among structures
  * Help (1.2.2): 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 (1.0.1): Python convenience input/output functions
  * ISOLDE (1.7.1): 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
  * Label (1.1.9): Add text labels to graphics
  * LigandRecognizer (0.2): This tool uses a PDB model (.pdb or .cif) and corresponding density map (.cpp4) to validate/identify ligands.
  * ListInfo (1.2.2): Report attributes for selected atomic data
  * Log (1.1.6): Log support
  * LookingGlass (1.1): LookingGlass holographic display
  * Maestro (1.9.1): Maestro reader
  * Map (1.1.4): 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 (2.1.2): Superimpose structures
  * MCopy (1.0): Copy atomic structure attributes to another structure
  * MDcrds (2.6.1): Molecular dynamics support
  * MedicalToolbar (1.0.2): Toolbar for medical image analysis
  * Meeting (1.0.1): Shared interactive VR sessions.
  * MLP (1.1.1): Molecular lipophilicity calculation
  * mmCIF (2.12.1): mmCIF format read/write
  * MMTF (2.2): MMTF format read/write
  * Modeller (1.5.15): 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
  * Neuron (1.0): Read SWC neuron trace files
  * Nifti (1.1): Read medical images in NIfTI format
  * NMRSTAR (1.0.1): Read NMR distance restraints from NMR-STAR files
  * NRRD (1.1): Read medical images in NRRD format
  * Nucleotides (2.0.3): Create nucleotide-specific displays
  * OpenCommand (1.13.1): Manages 'open' command extensibility
  * PDB (2.7.3): 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): Preset management
  * PubChem (2.1): 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 (1.2.1): Depict attribute values on structures
  * RenumberResidues (1.1): Renumber residues
  * ResidueFit (1.0.1): Display fit of residues to density map
  * RestServer (1.2): 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
  * SelInspector (1.0): Inspect contents of selection
  * SeqView (2.11.1): Sequence viewer
  * Shape (1.0.1): Make models for geometric shapes
  * Shell (1.0.1): Interactive Python shell
  * Shortcuts (1.1.1): Button and keyboard shortcuts
  * ShowSequences (1.0.2): Choose/show structure sequences
  * SideView (1.0.1): Side view of scene
  * Smiles (2.1.2): SMILES fetch
  * SmoothLines (1.0): Smooth network of lines
  * SpaceNavigator (1.0): Space Navigator device support
  * StdCommands (1.15): Standard commands
  * STL (1.0.1): STL file read/write
  * Storm (1.0): STORM file reader
  * StructMeasure (1.1.2): 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 (2.2.2): 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 (1.1.2): 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 (1.33.5): ChimeraX user interface
  * uniprot (2.3): UniProt database support
  * UnitCell (1.0.1): Show crystal unit cell
  * ViewDockX (1.3.2): 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 (1.1.3): Web service and HTTP request support
  * Zone (1.0.1): Mouse mode to show atom and map zones

  

> unistall LigandRecognizer

Unknown command: toolshed unistall LigandRecognizer  

> toolshed uninstall LigandRecognizer

unloading module chimerax.ligand_recognizer  
Successfully uninstalled ChimeraX-LigandRecognizer-0.2  
Removed ChimeraX-LigandRecognizer (0.2)  

> toolshed install LigandRecognizer

LigandRecognizer does not match any bundles  

> toolshed show

> toolshed install LigandRecognizer 0.2

LigandRecognizer (0.2) does not match any bundles  

> toolshed show

Downloading bundle ChimeraX_LigandRecognizer-0.2-py3-none-any.whl  
Installed ChimeraX-LigandRecognizer (0.2)  

> toolshed show ChimeraX-LigandRecognizer (0.2)

Expected a keyword  

> toolshed show ChimeraX-LigandRecognizer

Cannot find bundle 'ChimeraX-LigandRecognizer' in Toolshed  

> toolshed show LigandRecognizer

Cannot find bundle 'LigandRecognizer' in Toolshed  

> toolshed show ChimeraX_LigandRecognizer-0.2-py3-none-any.whl

Cannot find bundle 'ChimeraX_LigandRecognizer-0.2-py3-none-any.whl' in
Toolshed  

> toolshed list

List of installed bundles:  

  * AddCharge (1.5.15): Add partial charges to atoms
  * AddH (2.2.5): Add hydrogens
  * AlignmentAlgorithms (2.0.1): Sequence alignment algorithms
  * AlignmentHdrs (3.4.3): Alignment header support
  * AlignmentMatrices (2.1): Sequence alignment similarity matrices
  * Alignments (2.12.3): Sequence alignment support
  * AlphaFold (1.0): Predict or fetch AlphaFold structures
  * AltlocExplorer (1.1.1): Examine/change alternate atomic locations
  * AmberInfo (1.0): Provide information about AmberTools installation
  * Arrays (1.1): C++ library for parsing numpy arrays
  * Atomic (1.52): Atomic-structure functionality
  * AtomicLibrary (12.1.4): 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 (2.1.2): Search PDB/NR/AlphaFold using BLAST
  * BondRot (2.0.4): Bond rotation support
  * BugReporter (1.0.1): Report bugs when an error occurs
  * BuildStructure (2.11): 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 (1.3.2): Check water placement in maps
  * ChemGroup (2.0.1): Detect chemically functional groups
  * Clashes (2.2.4): Find clashes/contacts in structures
  * Clipper (0.22.4): Clipper: Efficient handling of volumetric data and symmetry
  * ColorActions (1.0.3): Simple interface for coloring objects
  * ColorGlobe (1.0): Show directional resolution colored sphere
  * ColorKey (1.5.5): 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 (1.8.dev202401142228): ChimeraX Core Package
  * CoreFormats (1.2): ChimeraX session support
  * coulombic (1.4.3): 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): Read medical imaging and segmentations in DICOM format
  * DistMonitor (1.4): 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 (1.1.1): OpenGL graphics rendering
  * Hbonds (2.4): Identify hydrogen bonds in and among structures
  * Help (1.2.2): 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 (1.0.1): Python convenience input/output functions
  * ISOLDE (1.7.1): 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
  * Label (1.1.9): Add text labels to graphics
  * LigandRecognizer (0.2): This tool uses a PDB model (.pdb or .cif) and corresponding density map (.cpp4) to validate/identify ligands.
  * ListInfo (1.2.2): Report attributes for selected atomic data
  * Log (1.1.6): Log support
  * LookingGlass (1.1): LookingGlass holographic display
  * Maestro (1.9.1): Maestro reader
  * Map (1.1.4): 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 (2.1.2): Superimpose structures
  * MCopy (1.0): Copy atomic structure attributes to another structure
  * MDcrds (2.6.1): Molecular dynamics support
  * MedicalToolbar (1.0.2): Toolbar for medical image analysis
  * Meeting (1.0.1): Shared interactive VR sessions.
  * MLP (1.1.1): Molecular lipophilicity calculation
  * mmCIF (2.12.1): mmCIF format read/write
  * MMTF (2.2): MMTF format read/write
  * Modeller (1.5.15): 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
  * Neuron (1.0): Read SWC neuron trace files
  * Nifti (1.1): Read medical images in NIfTI format
  * NMRSTAR (1.0.1): Read NMR distance restraints from NMR-STAR files
  * NRRD (1.1): Read medical images in NRRD format
  * Nucleotides (2.0.3): Create nucleotide-specific displays
  * OpenCommand (1.13.1): Manages 'open' command extensibility
  * PDB (2.7.3): 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): Preset management
  * PubChem (2.1): 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 (1.2.1): Depict attribute values on structures
  * RenumberResidues (1.1): Renumber residues
  * ResidueFit (1.0.1): Display fit of residues to density map
  * RestServer (1.2): 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
  * SelInspector (1.0): Inspect contents of selection
  * SeqView (2.11.1): Sequence viewer
  * Shape (1.0.1): Make models for geometric shapes
  * Shell (1.0.1): Interactive Python shell
  * Shortcuts (1.1.1): Button and keyboard shortcuts
  * ShowSequences (1.0.2): Choose/show structure sequences
  * SideView (1.0.1): Side view of scene
  * Smiles (2.1.2): SMILES fetch
  * SmoothLines (1.0): Smooth network of lines
  * SpaceNavigator (1.0): Space Navigator device support
  * StdCommands (1.15): Standard commands
  * STL (1.0.1): STL file read/write
  * Storm (1.0): STORM file reader
  * StructMeasure (1.1.2): 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 (2.2.2): 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 (1.1.2): 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 (1.33.5): ChimeraX user interface
  * uniprot (2.3): UniProt database support
  * UnitCell (1.0.1): Show crystal unit cell
  * ViewDockX (1.3.2): 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 (1.1.3): Web service and HTTP request support
  * Zone (1.0.1): Mouse mode to show atom and map zones

  

> open C:/Users/User/Desktop/Biofisika/SLC44A1/cryo-
> EM/coot/slc44a1_monomer_lowpH_J118_real_space_refine_067_J259-coot-3_job046_coot-8.pdb

Chain information for
slc44a1_monomer_lowpH_J118_real_space_refine_067_J259-coot-3_job046_coot-8.pdb
#2  
---  
Chain | Description  
A | No description available  
  

> toolshed show LigandRecognizer

Cannot find bundle 'LigandRecognizer' in Toolshed  

> ligandrecognizer #1 #2

Unknown command: ligandrecognizer #1 #2  

> ligandrecognizer

Unknown command: ligandrecognizer  

> blob recognize

Could not find resolution information in the model. Please make sure that
resolution is either defined in the PDB/mmCIF file, or has been passed as a
parameter in the command.  

> volume #1 level 0.07406

> open C:\Users\User\Desktop\Biofisika\SLC44A1\cryo-
> EM\coot\slc44a1_dimer_J594-real_space_refined_064_real_space_refined_067-coot-2_T7X.pdb
> format pdb

Chain information for
slc44a1_dimer_J594-real_space_refined_064_real_space_refined_067-coot-2_T7X.pdb
#3  
---  
Chain | Description  
A B | No description available  
  

> close #2

> blob recognize

Could not find resolution information in the model. Please make sure that
resolution is either defined in the PDB/mmCIF file, or has been passed as a
parameter in the command.  

> blob recognize resolution 3.0

Resolution provided by hand. A recommended option is to use a PDB file with
resolution information. See tutorial for details.  

Could not find density map. Please open a density map or provide a valid
density map id as a command parameter.  

> blob recognize cryosparc_P150_J594_007_volume_map_sharp (1).mrc
> slc44a1_dimer_J594-real_space_refined_064_real_space_refined_067-coot-2_T7X.pdb
> resolution 3.0

Resolution provided by hand. A recommended option is to use a PDB file with
resolution information. See tutorial for details.  

Traceback (most recent call last):  
File "C:\Program Files\ChimeraX_2\bin\Lib\site-
packages\chimerax\cmd_line\tool.py", line 319, in execute  
cmd.run(cmd_text)  
File "C:\Program Files\ChimeraX_2\bin\Lib\site-
packages\chimerax\core\commands\cli.py", line 2908, in run  
result = ci.function(session, **kw_args)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File "C:\Users\User\AppData\Local\UCSF\ChimeraX\1.8\Python311\site-
packages\chimerax\ligand_recognizer\cmd.py", line 165, in recognize_class  
map_model = get_model(session, map_id)  
^^^^^^^^^^^^^^^^^^^^^^^^^^  
File "C:\Users\User\AppData\Local\UCSF\ChimeraX\1.8\Python311\site-
packages\chimerax\ligand_recognizer\cmd.py", line 27, in get_model  
model_tuple = tuple([int(x) for x in model_id[1:].split('.')])  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File "C:\Users\User\AppData\Local\UCSF\ChimeraX\1.8\Python311\site-
packages\chimerax\ligand_recognizer\cmd.py", line 27, in <listcomp>  
model_tuple = tuple([int(x) for x in model_id[1:].split('.')])  
^^^^^^  
ValueError: invalid literal for int() with base 10:
'ryosparc_P150_J594_007_volume_map_sharp'  
  
ValueError: invalid literal for int() with base 10:
'ryosparc_P150_J594_007_volume_map_sharp'  
  
File "C:\Users\User\AppData\Local\UCSF\ChimeraX\1.8\Python311\site-
packages\chimerax\ligand_recognizer\cmd.py", line 27, in  
model_tuple = tuple([int(x) for x in model_id[1:].split('.')])  
^^^^^^  
  
See log for complete Python traceback.  
  




OpenGL version: 3.3.0 NVIDIA 571.96
OpenGL renderer: NVIDIA GeForce RTX 3050 Ti Laptop GPU/PCIe/SSE2
OpenGL vendor: NVIDIA Corporation

Python: 3.11.2
Locale: es_ES.cp1252
Qt version: PyQt6 6.3.1, Qt 6.3.1
Qt runtime version: 6.3.2
Qt platform: windows

Manufacturer: ASUSTeK COMPUTER INC.
Model: ASUS TUF Gaming F15 FX506HE_FX506HE
OS: Microsoft Windows 11 Home (Build 26100)
Memory: 16,888,246,272
MaxProcessMemory: 137,438,953,344
CPU: 16 11th Gen Intel(R) Core(TM) i7-11800H @ 2.30GHz
OSLanguage: es-ES

Installed Packages:
    alabaster: 0.7.16
    appdirs: 1.4.4
    asttokens: 2.4.1
    Babel: 2.14.0
    backcall: 0.2.0
    beautifulsoup4: 4.11.2
    blockdiag: 3.0.0
    blosc2: 2.0.0
    build: 0.10.0
    certifi: 2023.11.17
    cftime: 1.6.3
    charset-normalizer: 3.3.2
    ChimeraX-AddCharge: 1.5.15
    ChimeraX-AddH: 2.2.5
    ChimeraX-AlignmentAlgorithms: 2.0.1
    ChimeraX-AlignmentHdrs: 3.4.3
    ChimeraX-AlignmentMatrices: 2.1
    ChimeraX-Alignments: 2.12.3
    ChimeraX-AlphaFold: 1.0
    ChimeraX-AltlocExplorer: 1.1.1
    ChimeraX-AmberInfo: 1.0
    ChimeraX-Arrays: 1.1
    ChimeraX-Atomic: 1.52
    ChimeraX-AtomicLibrary: 12.1.4
    ChimeraX-AtomSearch: 2.0.1
    ChimeraX-AxesPlanes: 2.4
    ChimeraX-BasicActions: 1.1.2
    ChimeraX-BILD: 1.0
    ChimeraX-BlastProtein: 2.1.2
    ChimeraX-BondRot: 2.0.4
    ChimeraX-BugReporter: 1.0.1
    ChimeraX-BuildStructure: 2.11
    ChimeraX-Bumps: 1.0
    ChimeraX-BundleBuilder: 1.2.2
    ChimeraX-ButtonPanel: 1.0.1
    ChimeraX-CageBuilder: 1.0.1
    ChimeraX-CellPack: 1.0
    ChimeraX-Centroids: 1.4
    ChimeraX-ChangeChains: 1.1
    ChimeraX-CheckWaters: 1.3.2
    ChimeraX-ChemGroup: 2.0.1
    ChimeraX-Clashes: 2.2.4
    ChimeraX-Clipper: 0.22.4
    ChimeraX-ColorActions: 1.0.3
    ChimeraX-ColorGlobe: 1.0
    ChimeraX-ColorKey: 1.5.5
    ChimeraX-CommandLine: 1.2.5
    ChimeraX-ConnectStructure: 2.0.1
    ChimeraX-Contacts: 1.0.1
    ChimeraX-Core: 1.8.dev202401142228
    ChimeraX-CoreFormats: 1.2
    ChimeraX-coulombic: 1.4.3
    ChimeraX-Crosslinks: 1.0
    ChimeraX-Crystal: 1.0
    ChimeraX-CrystalContacts: 1.0.1
    ChimeraX-DataFormats: 1.2.3
    ChimeraX-Dicom: 1.2
    ChimeraX-DistMonitor: 1.4
    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: 1.1.1
    ChimeraX-Hbonds: 2.4
    ChimeraX-Help: 1.2.2
    ChimeraX-HKCage: 1.3
    ChimeraX-IHM: 1.1
    ChimeraX-ImageFormats: 1.2
    ChimeraX-IMOD: 1.0
    ChimeraX-IO: 1.0.1
    ChimeraX-ISOLDE: 1.7.1
    ChimeraX-ItemsInspection: 1.0.1
    ChimeraX-IUPAC: 1.0
    ChimeraX-Label: 1.1.9
    ChimeraX-LigandRecognizer: 0.2
    ChimeraX-ListInfo: 1.2.2
    ChimeraX-Log: 1.1.6
    ChimeraX-LookingGlass: 1.1
    ChimeraX-Maestro: 1.9.1
    ChimeraX-Map: 1.1.4
    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: 2.1.2
    ChimeraX-MCopy: 1.0
    ChimeraX-MDcrds: 2.6.1
    ChimeraX-MedicalToolbar: 1.0.2
    ChimeraX-Meeting: 1.0.1
    ChimeraX-MLP: 1.1.1
    ChimeraX-mmCIF: 2.12.1
    ChimeraX-MMTF: 2.2
    ChimeraX-Modeller: 1.5.15
    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-Neuron: 1.0
    ChimeraX-Nifti: 1.1
    ChimeraX-NMRSTAR: 1.0.1
    ChimeraX-NRRD: 1.1
    ChimeraX-Nucleotides: 2.0.3
    ChimeraX-OpenCommand: 1.13.1
    ChimeraX-PDB: 2.7.3
    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
    ChimeraX-PubChem: 2.1
    ChimeraX-ReadPbonds: 1.0.1
    ChimeraX-Registration: 1.1.2
    ChimeraX-RemoteControl: 1.0
    ChimeraX-RenderByAttr: 1.2.1
    ChimeraX-RenumberResidues: 1.1
    ChimeraX-ResidueFit: 1.0.1
    ChimeraX-RestServer: 1.2
    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-SelInspector: 1.0
    ChimeraX-SeqView: 2.11.1
    ChimeraX-Shape: 1.0.1
    ChimeraX-Shell: 1.0.1
    ChimeraX-Shortcuts: 1.1.1
    ChimeraX-ShowSequences: 1.0.2
    ChimeraX-SideView: 1.0.1
    ChimeraX-Smiles: 2.1.2
    ChimeraX-SmoothLines: 1.0
    ChimeraX-SpaceNavigator: 1.0
    ChimeraX-StdCommands: 1.15
    ChimeraX-STL: 1.0.1
    ChimeraX-Storm: 1.0
    ChimeraX-StructMeasure: 1.1.2
    ChimeraX-Struts: 1.0.1
    ChimeraX-Surface: 1.0.1
    ChimeraX-SwapAA: 2.0.1
    ChimeraX-SwapRes: 2.2.2
    ChimeraX-TapeMeasure: 1.0
    ChimeraX-TaskManager: 1.0
    ChimeraX-Test: 1.0
    ChimeraX-Toolbar: 1.1.2
    ChimeraX-ToolshedUtils: 1.2.4
    ChimeraX-Topography: 1.0
    ChimeraX-ToQuest: 1.0
    ChimeraX-Tug: 1.0.1
    ChimeraX-UI: 1.33.5
    ChimeraX-uniprot: 2.3
    ChimeraX-UnitCell: 1.0.1
    ChimeraX-ViewDockX: 1.3.2
    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: 1.1.3
    ChimeraX-Zone: 1.0.1
    colorama: 0.4.6
    comm: 0.2.1
    comtypes: 1.1.14
    contourpy: 1.2.0
    cxservices: 1.2.2
    cycler: 0.12.1
    Cython: 0.29.33
    debugpy: 1.8.0
    decorator: 5.1.1
    docutils: 0.19
    executing: 2.0.1
    filelock: 3.9.0
    fonttools: 4.47.2
    funcparserlib: 2.0.0a0
    glfw: 2.6.4
    grako: 3.16.5
    h5py: 3.10.0
    html2text: 2020.1.16
    idna: 3.6
    ihm: 0.38
    imagecodecs: 2023.9.18
    imagesize: 1.4.1
    ipykernel: 6.23.2
    ipython: 8.14.0
    ipython-genutils: 0.2.0
    ipywidgets: 8.1.1
    jedi: 0.18.2
    Jinja2: 3.1.2
    jupyter-client: 8.2.0
    jupyter-core: 5.7.1
    jupyterlab-widgets: 3.0.9
    kiwisolver: 1.4.5
    line-profiler: 4.0.2
    lxml: 4.9.2
    lz4: 4.3.2
    MarkupSafe: 2.1.3
    matplotlib: 3.7.2
    matplotlib-inline: 0.1.6
    msgpack: 1.0.4
    nest-asyncio: 1.5.9
    netCDF4: 1.6.2
    networkx: 3.1
    nibabel: 5.0.1
    nptyping: 2.5.0
    numexpr: 2.8.8
    numpy: 1.25.1
    openvr: 1.23.701
    packaging: 23.2
    ParmEd: 3.4.3
    parso: 0.8.3
    pep517: 0.13.0
    pickleshare: 0.7.5
    pillow: 10.2.0
    pip: 23.0
    pkginfo: 1.9.6
    platformdirs: 4.1.0
    prompt-toolkit: 3.0.43
    psutil: 5.9.5
    pure-eval: 0.2.2
    py-cpuinfo: 9.0.0
    pycollada: 0.7.2
    pydicom: 2.3.0
    Pygments: 2.16.1
    pynmrstar: 3.3.2
    pynrrd: 1.0.0
    PyOpenGL: 3.1.7
    PyOpenGL-accelerate: 3.1.7
    pyopenxr: 1.0.2801
    pyparsing: 3.0.9
    pyproject-hooks: 1.0.0
    PyQt6-commercial: 6.3.1
    PyQt6-Qt6: 6.3.2
    PyQt6-sip: 13.4.0
    PyQt6-WebEngine-commercial: 6.3.1
    PyQt6-WebEngine-Qt6: 6.3.2
    python-dateutil: 2.8.2
    pytz: 2023.3.post1
    pywin32: 305
    pyzmq: 25.1.2
    qtconsole: 5.4.3
    QtPy: 2.4.1
    RandomWords: 0.4.0
    requests: 2.31.0
    scipy: 1.11.1
    setuptools: 67.4.0
    sfftk-rw: 0.7.3
    six: 1.16.0
    snowballstemmer: 2.2.0
    sortedcontainers: 2.4.0
    soupsieve: 2.5
    sphinx: 6.1.3
    sphinx-autodoc-typehints: 1.22
    sphinxcontrib-applehelp: 1.0.8
    sphinxcontrib-blockdiag: 3.0.0
    sphinxcontrib-devhelp: 1.0.6
    sphinxcontrib-htmlhelp: 2.0.5
    sphinxcontrib-jsmath: 1.0.1
    sphinxcontrib-qthelp: 1.0.7
    sphinxcontrib-serializinghtml: 1.1.10
    stack-data: 0.6.3
    superqt: 0.5.0
    tables: 3.8.0
    tcia-utils: 1.5.1
    tifffile: 2023.7.18
    tinyarray: 1.2.4
    tornado: 6.4
    traitlets: 5.9.0
    typing-extensions: 4.9.0
    tzdata: 2023.4
    urllib3: 2.1.0
    wcwidth: 0.2.13
    webcolors: 1.12
    wheel: 0.38.4
    wheel-filename: 1.4.1
    widgetsnbextension: 4.0.9
    WMI: 1.5.1