I was trying to import a small molecule into CCPNMR from a pdb file but I get the following error:
############################################
# FormatConverter: executing readChemComps #
############################################
Error converting ' ' to integer: set to 0.
Error converting ' ' to integer: set to 0.
Error converting ' ' to integer: set to 0.
Error converting ' ' to integer: set to 0.
Error converting ' ' to integer: set to 0.
Error converting ' ' to integer: set to 0.
Error converting ' ' to integer: set to 0.
Error converting ' ' to integer: set to 0.
Error converting ' ' to integer: set to 0.
Error converting ' ' to integer: set to 0.
Error converting ' ' to integer: set to 0.
Error converting ' ' to integer: set to 0.
Error converting ' ' to integer: set to 0.
Error converting ' ' to integer: set to 0.
Error converting ' ' to integer: set to 0.
Error converting ' ' to integer: set to 0.
Error converting ' ' to integer: set to 0.
Error converting ' ' to integer: set to 0.
Error converting ' ' to integer: set to 0.
Error converting ' ' to integer: set to 0.
Error converting ' ' to integer: set to 0.
Error converting ' ' to integer: set to 0.
Error converting ' ' to integer: set to 0.
Error converting ' ' to integer: set to 0.
Error converting ' ' to integer: set to 0.
Error converting ' ' to integer: set to 0.
Error converting ' ' to integer: set to 0.
Error converting ' ' to integer: set to 0.
Error converting ' ' to integer: set to 0.
Error converting ' ' to integer: set to 0.
Error converting ' ' to integer: set to 0.
Error converting ' ' to integer: set to 0.
Error converting ' ' to integer: set to 0.
Error converting ' ' to integer: set to 0.
Error converting ' ' to integer: set to 0.
Error converting ' ' to integer: set to 0.
Error converting ' ' to integer: set to 0.
Error converting ' ' to integer: set to 0.
Error converting ' ' to integer: set to 0.
Error converting ' ' to integer: set to 0.
Error converting ' ' to integer: set to 0.
Created test1,other: neutral,none
Exception in Tkinter callback
Traceback (most recent call last):
File "/usr/local/prog/ccpnmr/python2.6/lib/python2.6/lib-tk/Tkinter.py", line 1410, in __call__
return self.func(*args)
File "/usr/local/prog/ccpnmr/ccpnmr2.3/python/ccpnmr/format/gui/ImportExportFormatPopup.py", line 981, in ok
if (not self.apply()):
File "/usr/local/prog/ccpnmr/ccpnmr2.3/python/ccpnmr/format/gui/ImportExportFormatPopup.py", line 994, in apply
returnValue = self.importExportFile(self.component) # If none, will do all components
File "/usr/local/prog/ccpnmr/ccpnmr2.3/python/ccpnmr/format/gui/ImportExportFormatPopup.py", line 801, in importExportFile
returnValue = rwFunc(*addArgs,**addKeywds)
File "/usr/local/prog/ccpnmr/ccpnmr2.3/python/ccpnmr/format/converters/DataFormat.py", line 1559, in readChemComps
self.makeChemComp()
File "/usr/local/prog/ccpnmr/ccpnmr2.3/python/ccpnmr/format/converters/DataFormat.py", line 14476, in makeChemComp
for chemCompVar in chemAtom.chemCompVars:
AttributeError: 'NoneType' object has no attribute 'chemCompVars'
start generating output : ccp.molecule.ChemCompCoord.ChemCompCoord
start generating output : ccp.molecule.MolSystem.MolSystem
start generating output : ccp.general.DataLocation.DataLocationStore
start generating output : ccp.nmr.Nmr.NmrProject
start generating output : ccp.molecule.ChemComp.NonStdChemComp
start generating output : ccp.molecule.Molecule.Molecule
start generating output : ccp.molecule.MolSystem.MolSystem
start generating output : ccpnmr.Analysis.AnalysisProject
Could you give me any clues about what is going on? My CCPNMR version is 2.3.1 and I cannot use ChemBuild since I am using CentOS and it is not compatible. Also it would be nice if you could make a webserver that could convert pdb to xml for the users that cannot use ChemBuild.
Many thanks
Teresa
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