Hi all, Does babel have any conformer comparison function like the molecular overlay that can be done in Mercury? I'm looking to get a quantitative measure of the similarity of two conformers.
Cheers, Scott -- View this message in context: http://forums.openbabel.org/Compare-3D-strucuture-of-molecules-tp4655501.html Sent from the General discussion mailing list archive at Nabble.com. ------------------------------------------------------------------------------ Don't let slow site performance ruin your business. Deploy New Relic APM Deploy New Relic app performance management and know exactly what is happening inside your Ruby, Python, PHP, Java, and .NET app Try New Relic at no cost today and get our sweet Data Nerd shirt too! http://p.sf.net/sfu/newrelic-dev2dev _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
