Hi
Here is the warning I get from the Format Converter after I export a peak
list, the first bit has always been present. However the "key not found" bit
is new so I thought I would just report it. It may be nothing and unimportant.
Warning: no CYANA2.1 chemAtomSysName available for 'A.167.CD*', trying IUPAC.
Warning: no CYANA2.1 chemAtomSysName available for 'A.168.CD*', trying IUPAC.
Warning: no CYANA2.1 chemAtomSysName available for 'A.167.CE*', trying IUPAC.
Warning: no CYANA2.1 chemAtomSysName available for 'A.168.CE*', trying IUPAC.
Warning: no CYANA2.1 chemAtomSysName available for 'A.169.CD*', trying IUPAC.
Warning: no CYANA2.1 chemAtomSysName available for 'A.19.CE*', trying IUPAC.
Warning: Key (<ccp.molecule.MolSystem.Chain ['MS3', 'A']>, 133, 'CD*') not fo
und in self.atomSerialDict. (18 times)
Warning: Key (<ccp.molecule.MolSystem.Chain ['MS3', 'A']>, 133, 'CE*') not fo
und in self.atomSerialDict. (13 times)
Warning: Key (<ccp.molecule.MolSystem.Chain ['MS3', 'A']>, 173, 'CD*') not fo
und in self.atomSerialDict. (3 times)
Warning: Key (<ccp.molecule.MolSystem.Chain ['MS3', 'A']>, 173, 'CE*') not fo
und in self.atomSerialDict. (2 times)
Warning: Key (<ccp.molecule.MolSystem.Chain ['MS3', 'A']>, 174, 'CD*') not fo
und in self.atomSerialDict. (5 times)
Warning: Key (<ccp.molecule.MolSystem.Chain ['MS3', 'A']>, 174, 'CE*') not fo
und in self.atomSerialDict. (2 times)
Warning: Key (<ccp.molecule.MolSystem.Chain ['MS3', 'A']>, 175, 'CD*') not fo
und in self.atomSerialDict. (10 times)
Warning: Key (<ccp.molecule.MolSystem.Chain ['MS3', 'A']>, 175, 'CE*') not fo
und in self.atomSerialDict. (9 times)
The Key not found is new and appears to be different to the more common
deprecated warnings.
Cheers
Ben
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