> We are using Open Babel to convert smile files into mol file but for > stereocenters it generate only one wedge or one hashed bond. We would prefer > to have both wedge and hashed bonds like in Cram convention.
I'm not sure I understand what you're asking. If a molecule requires both types of wedge/hash bond to properly depict the stereo centers, Open Babel will do that. In general, like most programs, it will only show the wedge/hash notation when needed and omit any implicit hydrogens. Are you trying to make sure the implicit hydrogens are shown so that the Mol file indicates both wedge/hash for a Cram diagram? In that case, you might try adding hydrogens. -Geoff _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
