hello
I have just had some problems trying to export with format converter. First
off exporting an nmrview shift or peak list, the residue numbering starts at
88. This may be because I had another molecular system in the project that
went up to residue 87, but I still don't see why it would start at 88 for
the other one. In edit molecular systems, the 'start seq number' is 1. My
other problem is trying to export a talos file. I get an error message
dialog and the traceback attached. I'm going to guess this is something to
do with the non-standard amino acid in my protein molecular system. Actually
that reminds me that I also can't import a structure with non-standard aa.
Traceback for that attached too.
thanks,
simon
--q?'(j+8ai7sibrwGXG4(72gwf-L.BygA5ejB2,np.sIr/rOy8nY7?b-PrRXN'QUFxjVPAe
Content-Transfer-Encoding: 7bit
Content-Type: TEXT/PLAIN;
name="export_to_talos_error.txt"
Exception in thread Thread-11:
Traceback (most recent call last):
File "/usr/lib/python2.3/threading.py", line 436, in __bootstrap
self.run()
File "/home/simon/ccpnmr/ccpnmr1.0/python/ccpnmr/format/gui/ImportExportFormatPopup.py", line 90, in run
self.returnValue = self.__target(*self.__args, **self.__kwargs)
File "/home/simon/ccpnmr/ccpnmr1.0/python/ccpnmr/format/converters/DataFormat.py", line 718, in writeProject
returnValue = self.createFullProject(fileName,**keywds)
File "/home/simon/ccpnmr/ccpnmr1.0/python/ccpnmr/format/converters/TalosFormat.py", line 220, in createFullProject
self.writeSequence(fileName, chains = [self.chain], noWrite = True, resetIOkeywords = False)
File "/home/simon/ccpnmr/ccpnmr1.0/python/ccpnmr/format/converters/DataFormat.py", line 942, in writeSequence
self.setSequenceFileElements()
File "/home/simon/ccpnmr/ccpnmr1.0/python/ccpnmr/format/converters/TalosFormat.py", line 241, in setSequenceFileElements
self.sequence.elements.append(sequenceIO.TalosSequenceElement(self.seqCode,self.residue.molResidue.chemComp.code1Letter))
File "/home/simon/ccpnmr/ccpnmr1.0/python/ccp/format/general/formatIO.py", line 127, in __init__
self.setResidueCode(*args)
File "/home/simon/ccpnmr/ccpnmr1.0/python/ccp/format/talos/sequenceIO.py", line 127, in setResidueCode
self.code1Letter = string.upper(code1Letter)
File "/usr/lib/python2.3/string.py", line 64, in upper
return s.upper()
AttributeError: 'NoneType' object has no attribute 'upper'
--q?'(j+8ai7sibrwGXG4(72gwf-L.BygA5ejB2,np.sIr/rOy8nY7?b-PrRXN'QUFxjVPAe
Content-Transfer-Encoding: 7bit
Content-Type: TEXT/PLAIN;
name="structure_load_error.txt"
Exception in Tkinter callback
Traceback (most recent call last):
File "/usr/lib/python2.3/lib-tk/Tkinter.py", line 1345, in __call__
return self.func(*args)
File "/usr/lib/python2.3/lib-tk/Tkinter.py", line 456, in callit
func(*args)
File "/home/simon/ccpnmr/ccpnmr1.0/python/ccpnmr/analysis/EditStructuresPopup.py", line 466, in update
self.setCurrentStruc()
File "/home/simon/ccpnmr/ccpnmr1.0/python/ccpnmr/analysis/EditStructuresPopup.py", line 202, in setCurrentStruc
self.updateCoordsAfter()
File "/home/simon/ccpnmr/ccpnmr1.0/python/ccpnmr/analysis/EditStructuresPopup.py", line 351, in updateCoordsAfter
self.molFrame.update(self.loadedStructure)
File "/home/simon/ccpnmr/ccpnmr1.0/python/ccp/gui/ViewStructureFrame.py", line 543, in update
self.displayStructure()
File "/home/simon/ccpnmr/ccpnmr1.0/python/ccp/gui/ViewStructureFrame.py", line 372, in displayStructure
for atom3 in nextResidue.atoms:
AttributeError: 'NoneType' object has no attribute 'atoms'
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