rdkit-orig
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Compatibility with sdf files served by the PDB
SDFs provided by the PDB (Protein Data Bank) have a slightly different format than what RDKit is expecting.
Example file that would fail with the old code http://www.rcsb.org/pdb/download/downloadLigandFiles.do?ligandIdList=XK2&structIdList=1HVR&instanceType=all&excludeUnobserved=false&includeHydrogens=false
The old error was:
Post-condition Violation Element '' not found Violation occurred on line 91 in file /home/jandom/workspace/rdkit/Code/GraphMol/PeriodicTable.h Failed Expression: anum>-1