Using V1.0, R10 I encountered a problem with the secondary structure chart
function. The window pops up but the Residue column in the table is empty. I
have used this function without any problems in previous versions. The same
happens with all of my projects. There is an extensive error message as well:
last xml element read:
<ChemAtomShift _ID="_2" meanValue="177.74252785044601"
randomCoilValue="178.5" refPoint="0.0" refValue="169.0" valuePerPoint="1.0"
atomName="C" chemCompLinking="any">
parser state was:
reading
ERROR loading xml ccp.NmrReference protein/ALA.xml
Exception in Tkinter callback
Traceback (most recent call last):
File "/usr/local/ccpnmr/python2.4/lib/python2.4/lib-tk/Tkinter.py", line
1345, in __call__
return self.func(*args)
File "/usr/local/ccpnmr/python2.4/lib/python2.4/lib-tk/Tkinter.py", line
456,in callit
func(*args)
File
"/usr/local/ccpnmr/ccpnmr1.0/python/ccpnmr/analysis/SecStructureGraphPopup.py",
line 587, in update
d_ca = self.getCarbonShiftDiff(residue,'CA')
File
"/usr/local/ccpnmr/ccpnmr1.0/python/ccpnmr/analysis/SecStructureGraphPopup.py",
line 535, in getCarbonShiftDiff
randomCoilShift = self.getRandomCoilShift(residue, atomType)
File
"/usr/local/ccpnmr/ccpnmr1.0/python/ccpnmr/analysis/SecStructureGraphPopup.py",
line 360, in getRandomCoilShift
chemCompNmrRef =
nmrRefHead.findFirstChemCompNmrRef(sourceName='BioMagResBank')
File "/usr/local/ccpnmr/ccpnmr1.0/python/ccp/api/Nmr.py", line 60514, in
findFirstChemCompNmrRef
contentStorage.load()
File "/usr/local/ccpnmr/ccpnmr1.0/python/memops/api/Implementation.py",
line 7326, in load
ioModule.load(stream, self.headObject)
File "/usr/local/ccpnmr/ccpnmr1.0/python/ccp/xml/NmrReference.py", line
105, in load
return GeneralXmlIO.load(stream, mapping, parentObject)
File "/usr/local/ccpnmr/ccpnmr1.0/python/memops/format/xml/XmlIO.py", line
370, in load
result = doLoad(stream, mapping, headObject)
File "/usr/local/ccpnmr/ccpnmr1.0/python/memops/format/xml/XmlIO.py", line
752, in doLoad
newMap = mapStack[-1][tag]
KeyError: 'ChemAtomShift'
Does anyone have an idea where that might come from?
thanks,
mark
|