Hi Marat, I am also interested in this feature...the generation of N distinct conformers for a particular input. I hope to get around to implementing this at some point, but to be honest, it will probably be a few months before I do it.
By the way, your question does not relate to scripting so I am ccing this email to the openbabel-discuss list instead. Regards, Noel On 9 February 2010 08:17, Marat Talipov <mir...@mail.ru> wrote: > Greetings, > > As is known, obconformer utility generates a number of conformers, > and, after MM optimization, prints XYZ coords of the most stable one. > The question is, how to modify obconformer behaviour to make it > print coords not one but N most stable conformer XYZs? > > > -- > Sincerely yours,, > Marat mailto:mir...@mail.ru > > > ------------------------------------------------------------------------------ > The Planet: dedicated and managed hosting, cloud storage, colocation > Stay online with enterprise data centers and the best network in the business > Choose flexible plans and management services without long-term contracts > Personal 24x7 support from experience hosting pros just a phone call away. > http://p.sf.net/sfu/theplanet-com > _______________________________________________ > OpenBabel-scripting mailing list > openbabel-script...@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-scripting > ------------------------------------------------------------------------------ SOLARIS 10 is the OS for Data Centers - provides features such as DTrace, Predictive Self Healing and Award Winning ZFS. Get Solaris 10 NOW http://p.sf.net/sfu/solaris-dev2dev _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
