> You need create an OBPairData (a subclass of OBGenericData), and apply > it to the molecule using OBMol.SetData. I usually grep the OpenBabel > source for examples of things.
There are also working examples in the API documentation, e.g. (see the Detailed Description): http://openbabel.org/api/2.2.0/classOpenBabel_1_1OBGenericData.shtml Cheers, -Geoff ------------------------------------------------------------------------------ ThinkGeek and WIRED's GeekDad team up for the Ultimate GeekDad Father's Day Giveaway. ONE MASSIVE PRIZE to the lucky parental unit. See the prize list and enter to win: http://p.sf.net/sfu/thinkgeek-promo _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
