At the end of a difficult but ultimately satisfying day,
I offer the following page for comment:
http://www.stolaf.edu/people/hansonr/jmol/test/json/spin.htm
This page illustrates the capability of defining objects such
as lines and planes in the coordinate system of the molecule
and then spinning and rotating from them in a clean and natural way.
Lines rotate about their axis; planes rotate about their geometric
center along the normal (perpendicular) to their surface.
While spinning, you can manipulate the model in any way you like.
Unlike "spin x 30; set spin on", this "internal coordinate" spinning
is not locked to the applet frame. Instead, as you manipulate the
model, it continues to spin along the internally-defined axis.
Consider:
load water.xyz;rotate y 20
draw line1 150 (atomno=1) (atomno=2);color draw yellow
#between the H atoms
draw line2 350 [line1] (atomno=3);color draw white
# from the center point of that through the oxygen
set spin [line1] 30;spin on
# spin along the H-H line
set spin [line2] 30;spin on
# spin along the bisector of the H-O-H angle
spin off;rotate [line1] 10;
rotate [line2] 10;
It's almost spooky how smoothly this works.
It would be great if a few people would push this and see where it
breaks or behaves badly.
Thanks,
Bob Hanson
--
Robert M. Hanson, [EMAIL PROTECTED], 507-646-3107
Professor of Chemistry, St. Olaf College
1520 St. Olaf Ave., Northfield, MN 55057
mailto:[EMAIL PROTECTED]
http://www.stolaf.edu/people/hansonr
"Imagination is more important than knowledge." - Albert Einstein
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