Hi, >>> I would to know the number of bonds between two atoms within a molecule >>> (i.e. the shortest path).
>> You're looking for a breadth-first search (BFS) >> You just need to start the BFS at atom1, and stop it when it comes to >> atom2. The value of depth will give you the answer. Ok, I have now the number of bonds between 2 atoms. Is there an easy way to know the type of each bond for the path between the 2 atoms? (I'm especially interested in counting the non-ring bong). Thanks, Regards, Pascal ------------------------------------------------------------------------------ BlackBerry® DevCon Americas, Oct. 18-20, San Francisco, CA The must-attend event for mobile developers. Connect with experts. Get tools for creating Super Apps. See the latest technologies. Sessions, hands-on labs, demos & much more. Register early & save! http://p.sf.net/sfu/rim-blackberry-1 _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
