See http://baoilleach.blogspot.co.uk/2010/04/plug-cclib-into-avogadro.html
On 12 February 2013 16:26, David Lonie <david.lo...@kitware.com> wrote: > Hi list, > > Is there a way to perceive bonds in a collection of atoms with obabel? I > looked though the documentation, but don't see an explicit operation for > this. > > We thought maybe converting cml --> cml might trigger bond perception, but > this doesn't seem to work either. Are there any tricks/operations that we > might be able to use for this? > > Thanks, > Dave > > ------------------------------------------------------------------------------ > Free Next-Gen Firewall Hardware Offer > Buy your Sophos next-gen firewall before the end March 2013 > and get the hardware for free! Learn more. > http://p.sf.net/sfu/sophos-d2d-feb > _______________________________________________ > OpenBabel-Devel mailing list > OpenBabel-Devel@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-devel > ------------------------------------------------------------------------------ Free Next-Gen Firewall Hardware Offer Buy your Sophos next-gen firewall before the end March 2013 and get the hardware for free! Learn more. http://p.sf.net/sfu/sophos-d2d-feb _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
