On Mon, Dec 19, 2011 at 2:54 PM, David Lonie <[email protected]> wrote: > On Mon, Dec 19, 2011 at 2:17 PM, Geoffrey Hutchison > <[email protected]> wrote: >>> Is there currently a GUI-based method to generate and view >>> conformations of a molecule? Using the forcefield extension, I appear >>> to be generating the conformers, but in View > Properties > Conformer >>> Properties, only a single entry shows up. >> >> What conformer search are you using? The weighted search will just give you >> the lowest energy conformer, not generate new ones. Systematic searching >> should give you a set. > > Even with systematic and random search, I only get a single conformer > in the properties dialog. Is this a bug or am I missing a step? > (avogadro master and OB trunk)
Found the problem: Commit fb544bfd0109bd0952b03d4d4f0e15009c1c3faa add the ability to selectively enable/disable multiple conformers in the prop dialogs, but it doesn't seem to ever get enabled. I'll push a patch soon. Dave ------------------------------------------------------------------------------ Learn Windows Azure Live! Tuesday, Dec 13, 2011 Microsoft is holding a special Learn Windows Azure training event for developers. It will provide a great way to learn Windows Azure and what it provides. You can attend the event by watching it streamed LIVE online. Learn more at http://p.sf.net/sfu/ms-windowsazure _______________________________________________ Avogadro-Discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/avogadro-discuss
