CCL: Graphics demos

 Sent to CCL by: kcousins===csusb.edu
 H Geoffey et al.
 There are already some interesting molecular graphics, including binding,
 docking, mechanics, etc. on Youtube.com
 What would be interesting to develop is a "guide" for educators and
 speakers, as to the science behind these visualizations (as well as the validity
 of each). There are "comments" than can be added to Youtube videos by
 joining youtube (no cost). Or an external guide could be developed . . .
 Kimberley R. Cousins
 Professor of Chemistry
 California State University, San Bernardino
 http://chem.csusb.edu/~kcousins
 kcousins###csusb.edu
 ----- Original Message -----
 > From: "Geoffrey Hutchison geoffh|pitt.edu"
 <owner-chemistry###ccl.net>
 Date: Sunday, March 30, 2008 10:56 am
 Subject: CCL: Graphics demos
 To: "Cousins, Kimberley " <kcousins###csusb.edu>
 >
 > Sent to CCL by: Geoffrey Hutchison [geoffh:_:pitt.edu]
 > > The next challenge is to give one in an undergraduate department
 > > where theory in detail is not appropriate, but I can give some
 > black
 > > box descriptions of methods and results.  What would be nice, I'm
 >
 > > told, would be some appropriate "cool graphics."
 >
 >
 > I'm not the right person for reaction paths or docking -- both of
 > those would be excellent for such a talk.
 >
 > I have gotten a lot of interest from showing simple things:
 > * A live geometry optimization using molecular mechanics -- the
 > molecule "pops" from a bad initial geometry into a better one and
 > then
 > continues to "squirm" (actual quotes).
 > * Conformational / rotor searching on a larger molecule -- showing
 > how
 > different conformers are sampled to find the local minima.
 > * Molecular dynamics
 >
 > Animations of molecular vibrations and even simple pictures of
 > molecular orbitals are often interesting for undergraduates.
 >
 > Maybe we need to get some animations like this onto CCL.net or
 > YouTube. (The latter has some great experimental demos, so why not
 > theory?)
 >
 > Cheers,
 > -Geoff
 >
 > ---
 > Prof. Geoffrey Hutchison
 > Department of Chemistry
 > University of Pittsburgh
 > tel: (412) 648-0492
 > email: geoffh:pitt.edu
 > web: http://hutchison.chem.pitt.edu/
 >
 >
 >
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