Apologies. The question was about obabel, not the API... On 12 February 2013 16:52, Noel O'Boyle <baoille...@gmail.com> wrote: > 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 >>
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