On Mon, Dec 19, 2011 at 4:48 PM, Geoffrey Hutchison <[email protected]> wrote: > 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. :-)
I can't believe I forgot about that -- thanks! :-) Dave ------------------------------------------------------------------------------ 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 [email protected] https://lists.sourceforge.net/lists/listinfo/avogadro-discuss
