> Because that's how it works. If I have a 2D alanine SDF and I "convert" to > 3D, I may get D-Alanine or I may get L-Alanine. If I'm working with > biomolecules, D-Alanine is not the one I want.
That would only happen if your 2D structure doesn't have any stereochemical (wedge/hash) information. That wasn't the user's question. If you're working with biomolecules and you have structures with no stereo information, then frankly the original structure was wrong. That has nothing to do with conversion from 0D or 2D to 3D structures. -Geoff _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
