From: Geoffrey H. <ge...@ge...> - 2010-12-25 14:31:53
|
On Dec 22, 2010, at 5:27 AM, Jan Halborg Jensen wrote: >> That said, I noticed that the animate feature of Avogadro *wildly* >> exaggerates the vibrational motion. The lowest setting is actually >> about 10 times greater motion than in reality! I'm always open to suggestions. I generally use a "wildly" exaggerated vibrational motion because I find in lecture demonstrations that 2x or 3x is not usually sufficient for students to understand the modes. They see that the atoms are moving, but have a difficult time differentiating the direction of movement. So I often find myself cranking it up to 20-30x... Maybe you have smaller lecture halls? It's obviously a *very* easy patch. Just give me some feedback on what you think the slider ranges should give. > I agree: it would be very educational to have an option where the > displacements were properly scaled according to frequency: > http://molecularmodelingbasics.blogspot.com/2010/06/geometry-and-molecular-motion.html Jan, I don't recall you giving this suggestion before -- we previously changed the speed of vibration to scale according to frequency, and it's again a fairly trivial patch. (Easy enough, I suspect you or one of your students could submit it…) While Quixote is definitely the way to go for a computational repository, I'm also happy to host a repository of "good teaching examples" on the Avogadro website in whatever file format is desired -- it need not be CML, since Avogadro can read such a wide range. -Geoff |