Hi, > You're looking for a breadth-first search (BFS), which is available in > OB. See the Python code at > http://baoilleach.blogspot.com/2008/07/calculate-circular-fingerprints-with.html > to get some idea of how to use it. > > 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.
Yes, great, that's what I wanted. Many thanks again, especially for the exemple :) Regards, Pascal ------------------------------------------------------------------------------ Got Input? Slashdot Needs You. Take our quick survey online. Come on, we don't ask for help often. Plus, you'll get a chance to win $100 to spend on ThinkGeek. http://p.sf.net/sfu/slashdot-survey _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
