On Dec 19, 2011, at 4:47 PM, Geoffrey Hutchison wrote: >> Check out the RotateSelection extension example >> (libavogadro/examples/thirdPartyExtensions/04-RotateSelection), I >> think it should be able to do dihedral scans without too much trouble, >> you might be able to modify that for a quick version.
Oh, but one thing the 3rd party extensions offers, which might be useful for a lab course -- a graphical plot of conformer energy vs. conformer #, which enables you to click on a structure to switch the geometry in the main Avogadro window. That shouldn't be too hard if you have free time. :-) Cheers, -Geoff ------------------------------------------------------------------------------ Write once. Port to many. Get the SDK and tools to simplify cross-platform app development. Create new or port existing apps to sell to consumers worldwide. Explore the Intel AppUpSM program developer opportunity. appdeveloper.intel.com/join http://p.sf.net/sfu/intel-appdev _______________________________________________ Avogadro-Discuss mailing list Avogadro-Discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/avogadro-discuss
