On Tue, Feb 12, 2013 at 12:06 PM, David Lonie <david.lo...@kitware.com> wrote: > On Tue, Feb 12, 2013 at 12:00 PM, Noel O'Boyle <baoille...@gmail.com> wrote: >> >> Try the xyz format. > > > That was our next guess, just wanted to make sure that I wasn't overlooking > anything more straightforward. > That is a pretty simple solution, I think we should take that path. I wasn't sure if it might be exposed somewhere in ops too. We would like to see how much functionality we can get just using the default obabel command. I wrote a custom executable that made use of the API before, and we could certainly consider that, but I think this was the last big thing we needed in terms of Open Babel services.
Thanks for the suggestions. Marcus ------------------------------------------------------------------------------ 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