Hi all, I have this problem where i need to combine two molecules at some specific atom - one from one molecule, and one from the other. The way i do this is attach a flag via generic data to both atoms before I do something like *mol += otherMol*. My question is, now I iterate over all the atoms until i find the ones with the appropriate attribute and I was wondering if the molecule was able to retrieve the atoms without iterating through all of them "my self"?
A follow up question, any suggestions as if this is the best way to connect two molecules, perhaps i'm doing it the wrong way? Much appreciated, -Andi -- View this message in context: http://forums.openbabel.org/Find-Mol-atom-with-attribute-tp4655912.html Sent from the General discussion mailing list archive at Nabble.com. ------------------------------------------------------------------------------ Everyone hates slow websites. So do we. Make your web apps faster with AppDynamics Download AppDynamics Lite for free today: http://p.sf.net/sfu/appdyn_d2d_jan _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss