Hi everyone, I have this application where I need to introduce custom atom types.
The problem is I also need to perform sub-structure isomorphism and without real atom types, that poses a problem in matching the sub-structure. Is there a way to add an atom type(atomic number) during run time? The way I'm handling the problem now is by using an atom type that is not possible to be in my molecules. I know it's not the best solution but hope some of you can shine some light into this. Thanks, Andi -- View this message in context: http://forums.openbabel.org/Custom-atom-type-tp3817121p3817121.html Sent from the General discussion mailing list archive at Nabble.com. ------------------------------------------------------------------------------ BlackBerry® DevCon Americas, Oct. 18-20, San Francisco, CA http://p.sf.net/sfu/rim-devcon-copy2 _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
