Issues accessing Assign with NMRBox

Analysis Version 3
1

Hi,

I hope you can help with this. I am not sure what additional information you may need, but this is the issue I have created. I had been using Assign through helium.nmrbox.org with NMRBox with no issues, but then received this error after also using Pymol. When I tried to open Assign again everything started off as expected then the following text appears after ==> Language set to “English-UK”. Not sure how to fix this.

Traceback (most recent call last):
File “/usr/software/CcpNmr-AnalysisAssign/miniconda/lib/python3.10/runpy.py”, line 196, in _run_module_as_main
return _run_code(code, main_globals, None,
File “/usr/software/CcpNmr-AnalysisAssign/miniconda/lib/python3.10/runpy.py”, line 86, in _run_code
exec(code, run_globals)
File “/usr/software/CcpNmr-AnalysisAssign/src/python/ccpn/AnalysisAssign/main.py”, line 55, in
main()
File “/usr/software/CcpNmr-AnalysisAssign/src/python/ccpn/AnalysisAssign/main.py”, line 47, in main
application._startApplication()
File “/usr/software/CcpNmr-AnalysisAssign/src/python/ccpn/framework/Framework.py”, line 488, in _startApplication
project = self._newProject()
File “/usr/software/CcpNmr-AnalysisAssign/src/python/ccpn/framework/Framework.py”, line 1061, in _newProject
self._initialiseProject(result) # This also set the linkages
File “/usr/software/CcpNmr-AnalysisAssign/src/python/ccpn/framework/Framework.py”, line 637, in _initialiseProject
newProject._initialiseProject()
File “/usr/software/CcpNmr-AnalysisAssign/src/python/ccpn/core/Project.py”, line 1149, in _initialiseProject
self._restoreChildren()
File “/usr/software/CcpNmr-AnalysisAssign/src/python/ccpn/core/_implementation/AbstractWrapperObject.py”, line 1043, in _restoreChildren
obj = childClass._restoreObject(project=project, apiObj=apiObj)
File “/usr/software/CcpNmr-AnalysisAssign/src/python/ccpn/core/_implementation/AbstractWrapperObject.py”, line 997, in _restoreObject
obj = cls._newInstanceFromApiData(project=project, apiObj=apiObj)
File “/usr/software/CcpNmr-AnalysisAssign/src/python/ccpn/core/_implementation/AbstractWrapperObject.py”, line 1102, in _newInstanceFromApiData
newInstance = cls(project, apiObj)
File “/usr/software/CcpNmr-AnalysisAssign/src/python/ccpn/ui/gui/MainWindow.py”, line 2633, in init
GuiMainWindow.init(self, application=application)
File “/usr/software/CcpNmr-AnalysisAssign/src/python/ccpn/ui/gui/MainWindow.py”, line 179, in init
self._setupMenus()
File “/usr/software/CcpNmr-AnalysisAssign/src/python/ccpn/ui/gui/MainWindow.py”, line 658, in _setupMenus
self._reloadCcpnPlugins()
File “/usr/software/CcpNmr-AnalysisAssign/src/python/ccpn/ui/gui/MainWindow.py”, line 1206, in _reloadCcpnPlugins
spec.loader.exec_module(module)
File “”, line 883, in exec_module
File “”, line 241, in _call_with_frames_removed
File “/home/nmrbox/0057/lharned/Documents/WTF/tit_Hur12ass_250715_309_GlobalFi.ccpn/scripts/pymol/chemicalShiftMapping_Pymol_Template.py”, line 10, in
from pymol import cmd
ModuleNotFoundError: No module named ‘pymol’

Thanks,

Laurie

2

Hi

Looks like an issue with the timing of when the program runs things to restore it’s last state and/or an issue with where pymol is & isn’t installed on nmrbox virtual machines. Did you close it with pymol still open displaying the chemical shift differences?

In the meantime, it should be safe to remove that file (which is dynamically generated when you run the chemical shift mapping tool. So try

mv /home/nmrbox/0057/lharned/Documents/WTF/tit_Hur12ass_250715_309_GlobalFi.ccpn/scripts/pymol/chemicalShiftMapping_Pymol_Template.py /home/nmrbox/0057/lharned/Documents/WTF/tit_Hur12ass_250715_309_GlobalFi.ccpn/scripts/pymol/chemicalShiftMapping_Pymol_Template.py.safe

and then restart.

Best wishes,
Brian