Hi
I am trying to use Link NOE Resonances (to analyse Cyana assigned peaks) and
I seem to be having a problem.
Firstly, my structure is linked to MS3, if I forget to change the structure
viewer to MS3 (from MS1) then I get the error
>>> Exception in Tkinter callback
Traceback (most recent call last):
File "/usr/lib64/python2.4/lib-tk/Tkinter.py", line 1345, in __call__
return self.func(*args)
File "/usr/lib64/python2.4/lib-tk/Tkinter.py", line 456, in callit
func(*args)
File
"/data/prog/ccpnmr/ccpnmr1.0/python/ccpnmr/analysis/LinkNoeResonancesPopup.py",
line 893, in updateAssignments
popup.showResonancesConnection(resonance1,resonance2)
File
"/data/prog/ccpnmr/temporaryReleaseDir/ccpnmr/ccpnmr1.0/python/ccpnmr/analysis/ViewStructurePopup.py",
line 172, in showResonancesConnection
method=self.distMethod)
File
"/data/prog/ccpnmr/temporaryReleaseDir/ccpnmr/ccpnmr1.0/python/ccpnmr/analysis/StructureBasic.py",
line 1010, in getAtomSetsDistance
for coord in getAtomSetCoords(atomSet, structure, coordSet):
File
"/data/prog/ccpnmr/temporaryReleaseDir/ccpnmr/ccpnmr1.0/python/ccpnmr/analysis/StructureBasic.py",
line 881, in getAtomSetCoords
structure.chainDict = {}
AttributeError: 'NoneType' object has no attribute 'chainDict'
After which LinkNOE Resonance will no longer work, it will navigate to a
peak but it wont list possible assignments or show them on structure, The
only way I can find to remedy this is to restart without saving. Obviously,
it is best if I just choose the correct MolSystem in the first place but if
I do forget to change it then it would be nice if there was a popup to warn
me of my mistake.
However, the main problem I am having is with using the Link NOE resonances
correctly. When I go through the NOE peaks after a few I hit this error
Exception in Tkinter callback
Traceback (most recent call last):
File "/usr/lib64/python2.4/lib-tk/Tkinter.py", line 1345, in __call__
return self.func(*args)
File "/usr/lib64/python2.4/lib-tk/Tkinter.py", line 456, in callit
func(*args)
File
"/data/prog/ccpnmr/ccpnmr1.0/python/ccpnmr/analysis/LinkNoeResonancesPopup.py",
line 893, in updateAssignments
popup.showResonancesConnection(resonance1,resonance2)
File
"/data/prog/ccpnmr/temporaryReleaseDir/ccpnmr/ccpnmr1.0/python/ccpnmr/analysis/ViewStructurePopup.py",
line 175, in showResonancesConnection
self.showAtomSetsConnection(atomSets1, atomSets2, value, color=color)
File
"/data/prog/ccpnmr/temporaryReleaseDir/ccpnmr/ccpnmr1.0/python/ccpnmr/analysis/ViewStructurePopup.py",
line 267, in showAtomSetsConnection
cBond = self.structFrame.drawConnection(coordAtoms1,coordAtoms2,color=color)
File
"/data/prog/ccpnmr/temporaryReleaseDir/ccpnmr/ccpnmr1.0/python/ccp/gui/ViewStructureFrame.py",
line 549, in drawConnection
IndexError: list index out of range
After this again Link NOE Resonance is broken, it needs to be restarted. It
doesnt seem to matter where I start in the NOE Lists I soon hit a peak that
triggers this error.
Link NOE Resonance worked fine on my previous project (so it may be this
project, I will check) but do you have any idea what could be going wrong?
Cheers
Ben
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