Files
rdkit/Code/GraphMol/FileParsers/MolFileWriter.cpp
Brian Kelley ff0548a871 RDKit learns how to round grip MOLFile values.
This is CTAB form:
“V XXX YYYYYY”

where (XXX is atom index, Y is the value)
2015-01-29 15:44:32 -05:00

34 KiB