Dear all,
For info if you get the below error, it may be because the URL for chem
comp data is pointing at the data in an old installation location, rather
than the new one which has data model changes.
So, if you get the error have a look at the data location in your project
.xml file (search for a '<URL' with 'name="chemCompData"'). If it points
to an old installation just change the file path to represent the correct
path for the new installation (+/data/ccp/chemComp). Also, you may have to
change the locations for chemElement and nmrReference.
Tim
> "/usr/local/ccpnmr/ccpnmr1.0/python/memops/format/xml/Compatibility.py",
> line 522, in conv_ccp_MolSystem_1_0_106
> chemComp = residue.molResidue.chemComp
> File "/usr/local/ccpnmr/ccpnmr1.0/python/ccp/api/Molecule.py", line
> 1979, in getChemComp
> return self.__dict__['chemCompHead'].chemComp
> File "/usr/local/ccpnmr/ccpnmr1.0/python/ccp/api/Molecule.py", line 312,
> in getChemComp
> storage.load()
> File "/usr/local/ccpnmr/ccpnmr1.0/python/memops/api/Implementation.py",
> line 3893, in load
> ioModule.load(stream,self.headObject)
> File "/usr/local/ccpnmr/ccpnmr1.0/python/ccp/xml/ChemComp.py", line 101,
> in load
> return GeneralXmlIO.load(stream, mapping, parentObject)
> File "/usr/local/ccpnmr/ccpnmr1.0/python/memops/format/xml/XmlIO.py",
> line 376, in load
> result = doLoad(stream, mapping, headObject)
> File "/usr/local/ccpnmr/ccpnmr1.0/python/memops/format/xml/XmlIO.py",
> line 716, in doLoad
> newMap = mapStack[-1][tag]
> KeyError: ChemAtomSysName
-------------------------------------------------------------------------------
Dr Tim Stevens Email: [log in to unmask]
Department of Biochemistry [log in to unmask]
University of Cambridge Phone: +44 1223 766022 (office)
80 Tennis Court Road +44 7816 338275 (mobile)
Old Addenbrooke's Site +44 1223 364613 (home)
Cambridge CB2 1GA WWWeb: http://www.bio.cam.ac.uk/~tjs23
United Kingdom http://www.pantonia.co.uk
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