From: SourceForge.net <no...@so...> - 2009-11-10 01:33:20
|
Feature Requests item #2894955, was opened at 2009-11-10 01:33 Message generated for change (Tracker Item Submitted) made by You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=835080&aid=2894955&group_id=165310 Please note that this message will contain a full copy of the comment thread, including the initial issue submission, for this request, not just the latest update. Category: Commands / Extensions Group: v 1.0.0 Status: Open Resolution: None Priority: 5 Private: No Submitted By: https://www.google.com/accounts () Assigned to: Nobody/Anonymous (nobody) Summary: ring flipping anomeric effect searching conformer search Initial Comment: Would be nice to have the conformer search search for the global minimum and other conformers. Right now Marvin does a better job finding ring flipped conformers and accounting for anomeric effect. Can this be implemented in Avogadro ? it would be great! :) ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=835080&aid=2894955&group_id=165310 |