openbabel/openbabel — pull request #89 by patrickfuller (2014-08-21 19:28:43+00:00)
Title: mmCIF reading now saves atom labels (like CIF reading)

Sorry for adding a pull request, but I swear this is the last minor mmCIF edit.

The CIF parser saves atom labels in OBPairData("_atom_site_label"), and mmCIF was saving its int representation in OBResidue.SerialNumber. Now mmCIF saves in both places.