Opened 9 months ago

Last modified 9 months ago

#16722 assigned defect

ISOLDE install errors, wrong version of Clipper

Reported by: goddard@… Owned by: Greg Couch
Priority: normal Milestone:
Component: Tool Shed Version:
Keywords: Cc: Tristan Croll, chimerax-programmers
Blocked By: Blocking:
Notify when closed: Platform: all
Project: ChimeraX

Description

The following bug report has been submitted:
Platform:        macOS-14.6.1-arm64-arm-64bit
ChimeraX Version: 1.9 (2024-12-11 19:11:19 UTC)
Description
Installing ISOLDE from Toolshed apparently failed because Clipper 0.23.0 was installed and ISOLDE wanted Clipper 0.24.0.  Actually it is not even clear if it failed, but it did spew various tracebacks while installing.

Log:
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 show

Downloading bundle ChimeraX_ISOLDE-1.9-cp311-cp311-macosx_10_13_universal2.whl  
Updated ChimeraX-Clipper (from 0.23.0 to 0.24.0)  
Installed ChimeraX-ISOLDE (1.9)  

Traceback (most recent call last):  
File
"/Users/goddard/Desktop/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/toolshed/info.py", line 501, in get_module  
m = importlib.import_module(self.package_name)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Users/goddard/Desktop/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/importlib/__init__.py",
line 126, in import_module  
return _bootstrap._gcd_import(name[level:], package, level)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File "<frozen importlib._bootstrap>", line 1204, in _gcd_import  
File "<frozen importlib._bootstrap>", line 1176, in _find_and_load  
File "<frozen importlib._bootstrap>", line 1147, in _find_and_load_unlocked  
File "<frozen importlib._bootstrap>", line 690, in _load_unlocked  
File "<frozen importlib._bootstrap_external>", line 940, in exec_module  
File "<frozen importlib._bootstrap>", line 241, in _call_with_frames_removed  
File "/Users/goddard/Library/Application Support/ChimeraX/1.9/lib/python/site-
packages/chimerax/isolde/__init__.py", line 51, in <module>  
__version__ = _version()  
^^^^^^^^^^  
File "/Users/goddard/Library/Application Support/ChimeraX/1.9/lib/python/site-
packages/chimerax/isolde/__init__.py", line 49, in _version  
return pkg_resources.require('ChimeraX-ISOLDE')[0].version  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Users/goddard/Desktop/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/pkg_resources/__init__.py", line 1069, in require  
needed = self.resolve(parse_requirements(requirements))  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Users/goddard/Desktop/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/pkg_resources/__init__.py", line 896, in resolve  
dist = self._resolve_dist(  
^^^^^^^^^^^^^^^^^^^  
File
"/Users/goddard/Desktop/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/pkg_resources/__init__.py", line 942, in _resolve_dist  
raise VersionConflict(dist, req).with_context(dependent_req)  
pkg_resources.ContextualVersionConflict: (ChimeraX-Clipper 0.23.0
(/Users/goddard/Library/Application Support/ChimeraX/1.9/lib/python/site-
packages), Requirement.parse('ChimeraX-Clipper~=0.24.0'), {'ChimeraX-ISOLDE'})  
  
During handling of the above exception, another exception occurred:  
  
Traceback (most recent call last):  
File
"/Users/goddard/Desktop/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/toolshed/info.py", line 375, in initialize  
api = self._get_api(session.logger)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File
"/Users/goddard/Desktop/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/toolshed/info.py", line 520, in _get_api  
m = self.get_module()  
^^^^^^^^^^^^^^^^^  
File
"/Users/goddard/Desktop/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/toolshed/info.py", line 503, in get_module  
raise ToolshedError("Error importing bundle %s's module: %s" % (self.name,
str(e)))  
chimerax.core.toolshed.ToolshedError: Error importing bundle ChimeraX-ISOLDE's
module: (ChimeraX-Clipper 0.23.0 (/Users/goddard/Library/Application
Support/ChimeraX/1.9/lib/python/site-packages), Requirement.parse('ChimeraX-
Clipper~=0.24.0'), {'ChimeraX-ISOLDE'})  
  

ChimeraX-ISOLDE (installed) [version: 1.9] [api package: chimerax.isolde]
[category: General] [tool: ISOLDE [categories: General] [synopsis: Interactive
Molecular Dynamics Flexible Fitting (iMDFF)]] [tool: Ramachandran Plot
[categories: Validation] [synopsis: Interactive Ramachandran plot]] [command:
isolde [categories: General] [synopsis: Command-line control of ISOLDE
simulations]] [command: rama [categories: General] [synopsis: Live
Ramachandran validation of models]] [command: rota [categories: General]
[synopsis: Live rotamer validation of models]] [command: ~rama [categories:
General] [synopsis: Turn off live Ramachandran validation of models]]
[command: ~rota [categories: General] [synopsis: Turn off live rotamer
validation of models]]: custom initialization failed  

> 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
  * clix (0.1.4): A powerful ChimeraX command line interface
  * 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
  * DeepSSETracer (1.1): This program predicts protein secondary structures using the saved model of deep learning program.
  * 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
  * EMalign (0.1.1): EM alignment algorithm
  * 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
  * 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
  * maskChains (1.1): Mask density map based on closest chains
  * 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
  * NIHPresets (1.1.19): NIH3D presets
  * 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
  * PhenixUI (1.3.7): Run model bulding calculations using Phenix
  * 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
  * QScore (1.1): Q-Score for validation of local model-map fit
  * 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
  * TetraScape (0.2): Protein Visualization using tetrahedral design language
  * 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

  




OpenGL version: 4.1 Metal - 88.1
OpenGL renderer: Apple M2 Ultra
OpenGL vendor: Apple

Python: 3.11.4
Locale: UTF-8
Qt version: PyQt6 6.7.1, Qt 6.7.1
Qt runtime version: 6.7.3
Qt platform: cocoa
Hardware:

    Hardware Overview:

      Model Name: Mac Studio
      Model Identifier: Mac14,14
      Model Number: Z1800003VLL/A
      Chip: Apple M2 Ultra
      Total Number of Cores: 24 (16 performance and 8 efficiency)
      Memory: 64 GB
      System Firmware Version: 10151.140.19
      OS Loader Version: 10151.140.19

Software:

    System Software Overview:

      System Version: macOS 14.6.1 (23G93)
      Kernel Version: Darwin 23.6.0
      Time since boot: 12 days, 3 hours, 58 minutes

Graphics/Displays:

    Apple M2 Ultra:

      Chipset Model: Apple M2 Ultra
      Type: GPU
      Bus: Built-In
      Total Number of Cores: 60
      Vendor: Apple (0x106b)
      Metal Support: Metal 3
      Displays:
        PHL 278B1:
          Resolution: 3840 x 2160 (2160p/4K UHD 1 - Ultra High Definition)
          UI Looks like: 1920 x 1080 @ 60.00Hz
          Main Display: Yes
          Mirror: Off
          Online: Yes
          Rotation: Supported


Installed Packages:
    alabaster: 1.0.0
    alphashape: 1.3.1
    anyio: 4.7.0
    appdirs: 1.4.4
    appnope: 0.1.4
    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
    biopython: 1.83
    blockdiag: 3.0.0
    blosc2: 3.0.0
    build: 1.2.1
    certifi: 2023.11.17
    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-clix: 0.1.4
    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-DeepSSETracer: 1.1
    ChimeraX-Dicom: 1.2.6
    ChimeraX-DistMonitor: 1.4.2
    ChimeraX-DockPrep: 1.1.3
    ChimeraX-Dssp: 2.0
    ChimeraX-EMalign: 0.1.1
    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-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-maskChains: 1.1
    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-NIHPresets: 1.1.19
    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-PhenixUI: 1.3.7
    ChimeraX-PickBlobs: 1.0.1
    ChimeraX-Positions: 1.0
    ChimeraX-PresetMgr: 1.1.2
    ChimeraX-PubChem: 2.2
    ChimeraX-QScore: 1.1
    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-TetraScape: 0.2
    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
    click: 8.1.7
    click-log: 0.4.0
    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
    docutils: 0.21.2
    executing: 2.1.0
    filelock: 3.15.4
    finufft: 2.3.1
    fonttools: 4.55.3
    fsspec: 2024.3.1
    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: 4.0.1
    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
    joblib: 1.4.2
    jupyter_client: 8.6.2
    jupyter_core: 5.7.2
    jupyterlab_widgets: 3.0.13
    kiwisolver: 1.4.7
    line_profiler: 4.1.3
    llvmlite: 0.42.0
    lxml: 5.2.2
    lz4: 4.3.3
    MarkupSafe: 3.0.2
    matplotlib: 3.9.2
    matplotlib-inline: 0.1.7
    more-itertools: 10.3.0
    mpmath: 1.3.0
    mrcfile: 1.5.0
    msgpack: 1.0.8
    ndindex: 1.9.2
    nest-asyncio: 1.6.0
    netCDF4: 1.6.5
    networkx: 3.3
    nibabel: 5.2.0
    nptyping: 2.5.0
    numba: 0.59.1
    numexpr: 2.10.2
    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
    pooch: 1.8.2
    prompt_toolkit: 3.0.48
    psutil: 6.0.0
    ptyprocess: 0.7.0
    pure_eval: 0.2.3
    py-cpuinfo: 9.0.0
    pycollada: 0.8
    pydicom: 2.4.4
    pyelftools: 0.31
    Pygments: 2.18.0
    pynmrstar: 3.3.4
    pynndescent: 0.5.12
    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
    pyvista: 0.44.1
    pyzmq: 26.2.0
    qtconsole: 5.5.2
    QtPy: 2.4.2
    qtshim: 1.0
    RandomWords: 0.4.0
    requests: 2.32.3
    Rtree: 1.3.0
    scikit-learn: 1.4.2
    scipy: 1.14.0
    scooby: 0.10.0
    setuptools: 72.1.0
    sfftk-rw: 0.8.1
    shapely: 2.0.6
    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
    sympy: 1.12
    tables: 3.10.1
    tcia_utils: 1.5.1
    threadpoolctl: 3.5.0
    tifffile: 2024.7.24
    tinyarray: 1.2.4
    tomli: 2.0.1
    torch: 2.1.2
    tornado: 6.4.2
    tqdm: 4.66.4
    traitlets: 5.14.3
    trimesh: 4.4.7
    typeguard: 4.3.0
    typing_extensions: 4.12.2
    typing_extensions: 4.12.2
    tzdata: 2024.2
    umap-learn: 0.5.6
    urllib3: 2.2.3
    vtk: 9.3.1
    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
    zipp: 3.19.2

Change History (1)

comment:1 by Tom Goddard, 9 months ago

Cc: Tristan Croll chimerax-programmers added
Component: UnassignedTool Shed
Owner: set to Greg Couch
Platform: all
Project: ChimeraX
Status: newassigned
Summary: ChimeraX bug report submissionISOLDE install errors, wrong version of Clipper

It seems ISOLDE did install despite the tracebacks that were logged when installing. I tried the first steps of the ISOLDE cryoEM tutorial and they worked.

Still this seems pretty important to fix because any reasonable user would conclude ISOLDE install failed, and ISOLDE is our most heavily used extension with over 5500 unique IP addresses downloading it in 2024.

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