> alternative site (e.g. 4-amino-pyridine). Is this currently possible > with OpenBabel? I couldn't quite find what I was looking for on the > wiki...
You could probably code something like this using the OBBuilder code, but it would take some work (i.e, it sounds like you'd need to remove or mutate some atoms, adjust bond lengths, grow new fragments). I assume the idea is to do this in an automated fashion, or I'd suggest doing it manually using Avogadro. :-) If you'd like to code it, I think we can probably point you in the right directions. -Geoff ------------------------------------------------------------------------------ For Developers, A Lot Can Happen In A Second. Boundary is the first to Know...and Tell You. Monitor Your Applications in Ultra-Fine Resolution. Try it FREE! http://p.sf.net/sfu/Boundary-d2dvs2 _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
