Opened 2 years ago

Closed 2 years ago

#9977 closed defect (not a bug)

Didn't find section 'Peptide bond' in tab 'ISOLDE'

Reported by: chimerax-bug-report@… Owned by: Tristan Croll
Priority: normal Milestone:
Component: Third Party Version:
Keywords: Cc:
Blocked By: Blocking:
Notify when closed: Platform: all
Project: ChimeraX

Description

The following bug report has been submitted:
Platform:        Windows-10-10.0.22621
ChimeraX Version: 1.6.1 (2023-05-09 17:57:07 UTC)
Description
(Describe the actions that caused this problem to occur here)

Log:
UCSF ChimeraX version: 1.6.1 (2023-05-09)  
© 2016-2023 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> toolshed show

Downloading bundle ChimeraX_ISOLDE-1.6.0-cp39-cp39-win_amd64.whl  

Errors may have occurred when running pip:  

pip standard error:  
\---  
  
[notice] A new release of pip is available: 23.0 -> 23.2.1  
[notice] To update, run: C:\Program Files\ChimeraX\bin\ChimeraX.exe -m pip
install --upgrade pip  
\---  

pip standard output:  
\---  
Looking in indexes: https://pypi.org/simple,
https://cxtoolshed.rbvi.ucsf.edu/pypi/  
Processing
c:\users\mager\downloads\chimerax_isolde-1.6.0-cp39-cp39-win_amd64.whl  
Requirement already satisfied: ChimeraX-AtomicLibrary~=10.0 in c:\program
files\chimerax\bin\lib\site-packages (from ChimeraX-ISOLDE==1.6.0) (10.0.6)  
Requirement already satisfied: ChimeraX-Arrays~=1.0 in c:\program
files\chimerax\bin\lib\site-packages (from ChimeraX-ISOLDE==1.6.0) (1.1)  
Requirement already satisfied: ChimeraX-Core<1.7,>=1.6rc202304252053 in
c:\program files\chimerax\bin\lib\site-packages (from ChimeraX-ISOLDE==1.6.0)
(1.6.1)  
Requirement already satisfied: ChimeraX-Atomic~=1.36 in c:\program
files\chimerax\bin\lib\site-packages (from ChimeraX-ISOLDE==1.6.0) (1.43.10)  
Collecting ChimeraX-Clipper~=0.21.0  
Downloading
https://cxtoolshed.rbvi.ucsf.edu/media/chimeraxclipper/releases/0.21.0/ChimeraX_Clipper-0.21.0-cp39-cp39-win_amd64.whl
(7.4 MB)  
\---------------------------------------- 7.4/7.4 MB 1.1 MB/s eta 0:00:00  
Requirement already satisfied: ChimeraX-PDBLibrary~=1.0 in c:\program
files\chimerax\bin\lib\site-packages (from ChimeraX-Atomic~=1.36->ChimeraX-
ISOLDE==1.6.0) (1.0.2)  
Requirement already satisfied: ChimeraX-mmCIF~=2.0 in c:\program
files\chimerax\bin\lib\site-packages (from ChimeraX-Atomic~=1.36->ChimeraX-
ISOLDE==1.6.0) (2.12)  
Requirement already satisfied: ChimeraX-Nucleotides~=2.0 in c:\program
files\chimerax\bin\lib\site-packages (from ChimeraX-Atomic~=1.36->ChimeraX-
ISOLDE==1.6.0) (2.0.3)  
Requirement already satisfied: ChimeraX-Geometry~=1.0 in c:\program
files\chimerax\bin\lib\site-packages (from ChimeraX-Atomic~=1.36->ChimeraX-
ISOLDE==1.6.0) (1.3)  
Requirement already satisfied: ChimeraX-ConnectStructure~=2.0 in c:\program
files\chimerax\bin\lib\site-packages (from ChimeraX-Atomic~=1.36->ChimeraX-
ISOLDE==1.6.0) (2.0.1)  
Requirement already satisfied: ChimeraX-PDB~=2.0 in c:\program
files\chimerax\bin\lib\site-packages (from ChimeraX-Atomic~=1.36->ChimeraX-
ISOLDE==1.6.0) (2.7.2)  
Requirement already satisfied: ChimeraX-Graphics~=1.0 in c:\program
files\chimerax\bin\lib\site-packages (from ChimeraX-Atomic~=1.36->ChimeraX-
ISOLDE==1.6.0) (1.1.1)  
Requirement already satisfied: ChimeraX-SaveCommand~=1.0 in c:\program
files\chimerax\bin\lib\site-packages (from ChimeraX-mmCIF~=2.0->ChimeraX-
Atomic~=1.36->ChimeraX-ISOLDE==1.6.0) (1.5.1)  
Requirement already satisfied: ChimeraX-OpenCommand~=1.0 in c:\program
files\chimerax\bin\lib\site-packages (from ChimeraX-mmCIF~=2.0->ChimeraX-
Atomic~=1.36->ChimeraX-ISOLDE==1.6.0) (1.10.1)  
Requirement already satisfied: ChimeraX-DataFormats~=1.0 in c:\program
files\chimerax\bin\lib\site-packages (from ChimeraX-mmCIF~=2.0->ChimeraX-
Atomic~=1.36->ChimeraX-ISOLDE==1.6.0) (1.2.3)  
Requirement already satisfied: ChimeraX-UI~=1.0 in c:\program
files\chimerax\bin\lib\site-packages (from ChimeraX-
Nucleotides~=2.0->ChimeraX-Atomic~=1.36->ChimeraX-ISOLDE==1.6.0) (1.28.4)  
Requirement already satisfied: ChimeraX-Surface~=1.0 in c:\program
files\chimerax\bin\lib\site-packages (from ChimeraX-
Nucleotides~=2.0->ChimeraX-Atomic~=1.36->ChimeraX-ISOLDE==1.6.0) (1.0.1)  
Requirement already satisfied: ChimeraX-IO~=1.0.1 in c:\program
files\chimerax\bin\lib\site-packages (from ChimeraX-PDB~=2.0->ChimeraX-
Atomic~=1.36->ChimeraX-ISOLDE==1.6.0) (1.0.1)  
Requirement already satisfied: ChimeraX-Map~=1.0 in c:\program
files\chimerax\bin\lib\site-packages (from ChimeraX-Surface~=1.0->ChimeraX-
Nucleotides~=2.0->ChimeraX-Atomic~=1.36->ChimeraX-ISOLDE==1.6.0) (1.1.4)  
Requirement already satisfied: ChimeraX-StdCommands~=1.0 in c:\program
files\chimerax\bin\lib\site-packages (from ChimeraX-Surface~=1.0->ChimeraX-
Nucleotides~=2.0->ChimeraX-Atomic~=1.36->ChimeraX-ISOLDE==1.6.0) (1.10.3)  
Requirement already satisfied: ChimeraX-MapData~=2.0 in c:\program
files\chimerax\bin\lib\site-packages (from ChimeraX-Surface~=1.0->ChimeraX-
Nucleotides~=2.0->ChimeraX-Atomic~=1.36->ChimeraX-ISOLDE==1.6.0) (2.0)  
Requirement already satisfied: ChimeraX-MouseModes~=1.0 in c:\program
files\chimerax\bin\lib\site-packages (from ChimeraX-UI~=1.0->ChimeraX-
Nucleotides~=2.0->ChimeraX-Atomic~=1.36->ChimeraX-ISOLDE==1.6.0) (1.2)  
Requirement already satisfied: ChimeraX-SelInspector~=1.0 in c:\program
files\chimerax\bin\lib\site-packages (from ChimeraX-UI~=1.0->ChimeraX-
Nucleotides~=2.0->ChimeraX-Atomic~=1.36->ChimeraX-ISOLDE==1.6.0) (1.0)  
Requirement already satisfied: ChimeraX-MapFilter~=2.0 in c:\program
files\chimerax\bin\lib\site-packages (from ChimeraX-Map~=1.0->ChimeraX-
Surface~=1.0->ChimeraX-Nucleotides~=2.0->ChimeraX-Atomic~=1.36->ChimeraX-
ISOLDE==1.6.0) (2.0.1)  
Requirement already satisfied: ChimeraX-MapSeries~=2.0 in c:\program
files\chimerax\bin\lib\site-packages (from ChimeraX-Map~=1.0->ChimeraX-
Surface~=1.0->ChimeraX-Nucleotides~=2.0->ChimeraX-Atomic~=1.36->ChimeraX-
ISOLDE==1.6.0) (2.1.1)  
Requirement already satisfied: ChimeraX-ItemsInspection~=1.0 in c:\program
files\chimerax\bin\lib\site-packages (from ChimeraX-
SelInspector~=1.0->ChimeraX-UI~=1.0->ChimeraX-Nucleotides~=2.0->ChimeraX-
Atomic~=1.36->ChimeraX-ISOLDE==1.6.0) (1.0.1)  
Requirement already satisfied: ChimeraX-Dssp~=2.0 in c:\program
files\chimerax\bin\lib\site-packages (from ChimeraX-
StdCommands~=1.0->ChimeraX-Surface~=1.0->ChimeraX-Nucleotides~=2.0->ChimeraX-
Atomic~=1.36->ChimeraX-ISOLDE==1.6.0) (2.0)  
Requirement already satisfied: ChimeraX-MapFit~=2.0 in c:\program
files\chimerax\bin\lib\site-packages (from ChimeraX-
StdCommands~=1.0->ChimeraX-Surface~=1.0->ChimeraX-Nucleotides~=2.0->ChimeraX-
Atomic~=1.36->ChimeraX-ISOLDE==1.6.0) (2.0)  
Requirement already satisfied: ChimeraX-DistMonitor~=1.2 in c:\program
files\chimerax\bin\lib\site-packages (from ChimeraX-
StdCommands~=1.0->ChimeraX-Surface~=1.0->ChimeraX-Nucleotides~=2.0->ChimeraX-
Atomic~=1.36->ChimeraX-ISOLDE==1.6.0) (1.4)  
Installing collected packages: ChimeraX-Clipper, ChimeraX-ISOLDE  
Successfully installed ChimeraX-Clipper-0.21.0 ChimeraX-ISOLDE-1.6.0  
\---  

Successfully installed ChimeraX-Clipper-0.21.0 ChimeraX-ISOLDE-1.6.0  
Installed ChimeraX-Clipper (0.21.0)  
Installed ChimeraX-ISOLDE (1.6.0)  

> open 4obe format mmcif fromDatabase pdb

Summary of feedback from opening 4obe fetched from pdb  
---  
warning | Atom H1 is not in the residue template for GLY /B:0  
notes | Fetching compressed mmCIF 4obe from
http://files.rcsb.org/download/4obe.cif  
Fetching CCD MG from
https://files.wwpdb.org/pub/pdb/refdata/chem_comp/G/MG/MG.cif  
  
4obe title:  
Crystal Structure of GDP-bound Human KRas [more info...]  
  
Chain information for 4obe #1  
---  
Chain | Description | UniProt  
A B | GTPase KRas | RASK_HUMAN 1-169  
  
Non-standard residues in 4obe #1  
---  
GDP — guanosine-5'-diphosphate  
MG — magnesium ion  
  
4obe mmCIF Assemblies  
---  
1| author_and_software_defined_assembly  
2| author_and_software_defined_assembly  
  

> ui tool show "Ramachandran Plot"

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  

> close session

> 6f0a

Unknown command: 6f0a  

> open 6f0a

Summary of feedback from opening 6f0a fetched from pdb  
---  
notes | Fetching compressed mmCIF 6f0a from
http://files.rcsb.org/download/6f0a.cif  
Fetching CCD C82 from
https://files.wwpdb.org/pub/pdb/refdata/chem_comp/2/C82/C82.cif  
Fetching CCD HEM from
https://files.wwpdb.org/pub/pdb/refdata/chem_comp/M/HEM/HEM.cif  
  
6f0a title:  
Crystal structure of human indoleamine 2,3-dioxygenase bound to a triazole
inhibitor and alanine molecule. [more info...]  
  
Chain information for 6f0a #1  
---  
Chain | Description | UniProt  
A C | Indoleamine 2,3-dioxygenase 1 | I23O1_HUMAN 11-403  
  
Non-standard residues in 6f0a #1  
---  
ALA — alanine  
C82 — ~{N}-(4-chlorophenyl)-1~{H}-1,2,3-triazol-5-amine  
HEM — protoporphyrin IX containing Fe (HEME)  
  
6f0a mmCIF Assemblies  
---  
1| author_defined_assembly  
2| author_defined_assembly  
  
Traceback (most recent call last):  
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\matplotlib\cbook\\__init__.py", line 307, in process  
func(*args, **kwargs)  
File "C:\Users\mager\AppData\Local\UCSF\ChimeraX\1.6\site-
packages\chimerax\isolde\validation\ramaplot\ramaplot.py", line 307, in
on_pick  
get_stepper(self.current_model).step_to(picked_rama.residue)  
File "C:\Users\mager\AppData\Local\UCSF\ChimeraX\1.6\site-
packages\chimerax\isolde\navigate.py", line 143, in step_to  
self._new_camera_position(residue)  
File "C:\Users\mager\AppData\Local\UCSF\ChimeraX\1.6\site-
packages\chimerax\isolde\navigate.py", line 232, in _new_camera_position  
interpolate_camera(session, 0, frames=1)  
File "C:\Users\mager\AppData\Local\UCSF\ChimeraX\1.6\site-
packages\chimerax\isolde\navigate.py", line 217, in interpolate_camera  
ncp, fcp = _get_clip_points(session, dist)  
File "C:\Users\mager\AppData\Local\UCSF\ChimeraX\1.6\site-
packages\chimerax\isolde\navigate.py", line 360, in _get_clip_points  
return (o+vd*dist*0.5, o+vd*dist*1.5)  
UnboundLocalError: local variable 'o' referenced before assignment  
Traceback (most recent call last):  
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\core\triggerset.py", line 138, in invoke  
return self._func(self._name, data)  
File "C:\Users\mager\AppData\Local\UCSF\ChimeraX\1.6\site-
packages\chimerax\isolde\toolbar.py", line 330, in _selection_changed_cb  
self._enable_if_single_peptide_selected_cb()  
File "C:\Users\mager\AppData\Local\UCSF\ChimeraX\1.6\site-
packages\chimerax\isolde\toolbar.py", line 316, in
_enable_if_single_peptide_selected_cb  
self.set_enabled(key, enable)  
File "C:\Users\mager\AppData\Local\UCSF\ChimeraX\1.6\site-
packages\chimerax\isolde\toolbar.py", line 127, in set_enabled  
self.session.toolbar.set_enabled(enabled, tab, section, display_name)  
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\toolbar\manager.py", line 164, in set_enabled  
tb.set_enabled(enabled, tab_title, section_title, button_title)  
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\toolbar\tool.py", line 246, in set_enabled  
self.ttb.set_enabled(enabled, tab_title, section_title, button_title)  
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\ui\widgets\tabbedtoolbar.py", line 496, in set_enabled  
raise ValueError(f"Didn't find section '{section_title}' in tab
'{tab_title}'")  
ValueError: Didn't find section 'Peptide bond' in tab 'ISOLDE'  
  
Error processing trigger "selection changed":  
ValueError: Didn't find section 'Peptide bond' in tab 'ISOLDE'  
  
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\ui\widgets\tabbedtoolbar.py", line 496, in set_enabled  
raise ValueError(f"Didn't find section '{section_title}' in tab
'{tab_title}'")  
  
See log for complete Python traceback.  
  




OpenGL version: 3.3.0 - Build 30.0.100.9864
OpenGL renderer: Intel(R) Iris(R) Plus Graphics
OpenGL vendor: Intel

Python: 3.9.11
Locale: fr_CH.cp1252
Qt version: PyQt6 6.4.2, Qt 6.4.2
Qt runtime version: 6.4.3
Qt platform: windows

Manufacturer: ASUSTeK COMPUTER INC.
Model: VivoBook_ASUSLaptop X512JA_X512JA
OS: Microsoft Windows 11 Famille (Build 22621)
Memory: 12,681,240,576
MaxProcessMemory: 137,438,953,344
CPU: 8 Intel(R) Core(TM) i7-1065G7 CPU @ 1.30GHz
OSLanguage: fr-FR

Installed Packages:
    alabaster: 0.7.13
    appdirs: 1.4.4
    asttokens: 2.2.1
    Babel: 2.12.1
    backcall: 0.2.0
    beautifulsoup4: 4.11.2
    blockdiag: 3.0.0
    build: 0.10.0
    certifi: 2023.5.7
    cftime: 1.6.2
    charset-normalizer: 3.1.0
    ChimeraX-AddCharge: 1.5.9.1
    ChimeraX-AddH: 2.2.5
    ChimeraX-AlignmentAlgorithms: 2.0.1
    ChimeraX-AlignmentHdrs: 3.3.1
    ChimeraX-AlignmentMatrices: 2.1
    ChimeraX-Alignments: 2.9.3
    ChimeraX-AlphaFold: 1.0
    ChimeraX-AltlocExplorer: 1.0.3
    ChimeraX-AmberInfo: 1.0
    ChimeraX-Arrays: 1.1
    ChimeraX-Atomic: 1.43.10
    ChimeraX-AtomicLibrary: 10.0.6
    ChimeraX-AtomSearch: 2.0.1
    ChimeraX-AxesPlanes: 2.3.2
    ChimeraX-BasicActions: 1.1.2
    ChimeraX-BILD: 1.0
    ChimeraX-BlastProtein: 2.1.2
    ChimeraX-BondRot: 2.0.1
    ChimeraX-BugReporter: 1.0.1
    ChimeraX-BuildStructure: 2.8
    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: 1.3.2
    ChimeraX-ChangeChains: 1.0.2
    ChimeraX-CheckWaters: 1.3.1
    ChimeraX-ChemGroup: 2.0.1
    ChimeraX-Clashes: 2.2.4
    ChimeraX-Clipper: 0.21.0
    ChimeraX-ColorActions: 1.0.3
    ChimeraX-ColorGlobe: 1.0
    ChimeraX-ColorKey: 1.5.3
    ChimeraX-CommandLine: 1.2.5
    ChimeraX-ConnectStructure: 2.0.1
    ChimeraX-Contacts: 1.0.1
    ChimeraX-Core: 1.6.1
    ChimeraX-CoreFormats: 1.1
    ChimeraX-coulombic: 1.4.2
    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: 1.1.1
    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: 1.2.1
    ChimeraX-HKCage: 1.3
    ChimeraX-IHM: 1.1
    ChimeraX-ImageFormats: 1.2
    ChimeraX-IMOD: 1.0
    ChimeraX-IO: 1.0.1
    ChimeraX-ISOLDE: 1.6.0
    ChimeraX-ItemsInspection: 1.0.1
    ChimeraX-Label: 1.1.7
    ChimeraX-ListInfo: 1.1.1
    ChimeraX-Log: 1.1.5
    ChimeraX-LookingGlass: 1.1
    ChimeraX-Maestro: 1.8.2
    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: 2.0.12
    ChimeraX-MDcrds: 2.6
    ChimeraX-MedicalToolbar: 1.0.2
    ChimeraX-Meeting: 1.0.1
    ChimeraX-MLP: 1.1.1
    ChimeraX-mmCIF: 2.12
    ChimeraX-MMTF: 2.2
    ChimeraX-Modeller: 1.5.9
    ChimeraX-ModelPanel: 1.3.7
    ChimeraX-ModelSeries: 1.0.1
    ChimeraX-Mol2: 2.0
    ChimeraX-Mole: 1.0
    ChimeraX-Morph: 1.0.2
    ChimeraX-MouseModes: 1.2
    ChimeraX-Movie: 1.0
    ChimeraX-Neuron: 1.0
    ChimeraX-Nifti: 1.0
    ChimeraX-NRRD: 1.0
    ChimeraX-Nucleotides: 2.0.3
    ChimeraX-OpenCommand: 1.10.1
    ChimeraX-PDB: 2.7.2
    ChimeraX-PDBBio: 1.0
    ChimeraX-PDBLibrary: 1.0.2
    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: 1.1.1
    ChimeraX-RemoteControl: 1.0
    ChimeraX-RenderByAttr: 1.1
    ChimeraX-RenumberResidues: 1.1
    ChimeraX-ResidueFit: 1.0.1
    ChimeraX-RestServer: 1.1
    ChimeraX-RNALayout: 1.0
    ChimeraX-RotamerLibMgr: 3.0
    ChimeraX-RotamerLibsDunbrack: 2.0
    ChimeraX-RotamerLibsDynameomics: 2.0
    ChimeraX-RotamerLibsRichardson: 2.0
    ChimeraX-SaveCommand: 1.5.1
    ChimeraX-SchemeMgr: 1.0
    ChimeraX-SDF: 2.0.1
    ChimeraX-Segger: 1.0
    ChimeraX-Segment: 1.0.1
    ChimeraX-SelInspector: 1.0
    ChimeraX-SeqView: 2.8.3
    ChimeraX-Shape: 1.0.1
    ChimeraX-Shell: 1.0.1
    ChimeraX-Shortcuts: 1.1.1
    ChimeraX-ShowSequences: 1.0.1
    ChimeraX-SideView: 1.0.1
    ChimeraX-Smiles: 2.1
    ChimeraX-SmoothLines: 1.0
    ChimeraX-SpaceNavigator: 1.0
    ChimeraX-StdCommands: 1.10.3
    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: 2.2.1
    ChimeraX-TapeMeasure: 1.0
    ChimeraX-Test: 1.0
    ChimeraX-Toolbar: 1.1.2
    ChimeraX-ToolshedUtils: 1.2.1
    ChimeraX-Topography: 1.0
    ChimeraX-Tug: 1.0.1
    ChimeraX-UI: 1.28.4
    ChimeraX-uniprot: 2.2.2
    ChimeraX-UnitCell: 1.0.1
    ChimeraX-ViewDockX: 1.2
    ChimeraX-VIPERdb: 1.0
    ChimeraX-Vive: 1.1
    ChimeraX-VolumeMenu: 1.0.1
    ChimeraX-VTK: 1.0
    ChimeraX-WavefrontOBJ: 1.0
    ChimeraX-WebCam: 1.0.2
    ChimeraX-WebServices: 1.1.1
    ChimeraX-Zone: 1.0.1
    colorama: 0.4.6
    comm: 0.1.3
    comtypes: 1.1.14
    contourpy: 1.0.7
    cxservices: 1.2.2
    cycler: 0.11.0
    Cython: 0.29.33
    debugpy: 1.6.7
    decorator: 5.1.1
    docutils: 0.19
    executing: 1.2.0
    filelock: 3.9.0
    fonttools: 4.39.3
    funcparserlib: 1.0.1
    grako: 3.16.5
    h5py: 3.8.0
    html2text: 2020.1.16
    idna: 3.4
    ihm: 0.35
    imagecodecs: 2022.9.26
    imagesize: 1.4.1
    importlib-metadata: 6.6.0
    ipykernel: 6.21.1
    ipython: 8.10.0
    ipython-genutils: 0.2.0
    ipywidgets: 8.0.6
    jedi: 0.18.2
    Jinja2: 3.1.2
    jupyter-client: 8.0.2
    jupyter-core: 5.3.0
    jupyterlab-widgets: 3.0.7
    kiwisolver: 1.4.4
    line-profiler: 4.0.2
    lxml: 4.9.2
    lz4: 4.3.2
    MarkupSafe: 2.1.2
    matplotlib: 3.6.3
    matplotlib-inline: 0.1.6
    msgpack: 1.0.4
    nest-asyncio: 1.5.6
    netCDF4: 1.6.2
    networkx: 2.8.8
    nibabel: 5.0.1
    nptyping: 2.5.0
    numexpr: 2.8.4
    numpy: 1.23.5
    openvr: 1.23.701
    packaging: 23.1
    ParmEd: 3.4.3
    parso: 0.8.3
    pep517: 0.13.0
    pickleshare: 0.7.5
    Pillow: 9.3.0
    pip: 23.0
    pkginfo: 1.9.6
    platformdirs: 3.5.0
    prompt-toolkit: 3.0.38
    psutil: 5.9.4
    pure-eval: 0.2.2
    pycollada: 0.7.2
    pydicom: 2.3.0
    Pygments: 2.14.0
    pynrrd: 1.0.0
    PyOpenGL: 3.1.5
    PyOpenGL-accelerate: 3.1.5
    pyparsing: 3.0.9
    pyproject-hooks: 1.0.0
    PyQt6-commercial: 6.4.2
    PyQt6-Qt6: 6.4.3
    PyQt6-sip: 13.4.1
    PyQt6-WebEngine-commercial: 6.4.0
    PyQt6-WebEngine-Qt6: 6.4.3
    python-dateutil: 2.8.2
    pytz: 2023.3
    pywin32: 305
    pyzmq: 25.0.2
    qtconsole: 5.4.0
    QtPy: 2.3.1
    RandomWords: 0.4.0
    requests: 2.28.2
    scipy: 1.9.3
    setuptools: 67.4.0
    sfftk-rw: 0.7.3
    six: 1.16.0
    snowballstemmer: 2.2.0
    sortedcontainers: 2.4.0
    soupsieve: 2.4.1
    sphinx: 6.1.3
    sphinx-autodoc-typehints: 1.22
    sphinxcontrib-applehelp: 1.0.4
    sphinxcontrib-blockdiag: 3.0.0
    sphinxcontrib-devhelp: 1.0.2
    sphinxcontrib-htmlhelp: 2.0.1
    sphinxcontrib-jsmath: 1.0.1
    sphinxcontrib-qthelp: 1.0.3
    sphinxcontrib-serializinghtml: 1.1.5
    stack-data: 0.6.2
    tables: 3.7.0
    tcia-utils: 1.2.0
    tifffile: 2022.10.10
    tinyarray: 1.2.4
    tomli: 2.0.1
    tornado: 6.3.1
    traitlets: 5.9.0
    typing-extensions: 4.5.0
    tzdata: 2023.3
    urllib3: 1.26.15
    wcwidth: 0.2.6
    webcolors: 1.12
    wheel: 0.38.4
    wheel-filename: 1.4.1
    widgetsnbextension: 4.0.7
    WMI: 1.5.1
    zipp: 3.15.0

Change History (2)

comment:1 by pett, 2 years ago

Component: UnassignedThird Party
Owner: set to Tristan Croll
Platform: all
Project: ChimeraX
Status: newassigned
Summary: ChimeraX bug report submissionDidn't find section 'Peptide bond' in tab 'ISOLDE'

comment:2 by Tristan Croll, 2 years ago

Resolution: not a bug
Status: assignedclosed

This is why, at the end of installation, ISOLDE pops up a dialog saying that ChimeraX needs to be restarted before using ISOLDE - its additions to the toolbar are only populated on ChimeraX startup. If the user ignores that message there's not much I can do about it - certainly *forcing* them to restart would be a terrible idea! I suppose I could catch this error and repeat the dialog if the user tries to start ISOLDE anyway...

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