right, average "centroid" of (atom expression). One of the lines in
the demo, for example, goes from the center point between the two
oxygens (oxygen) to the average position of the nitrogens (nitrogen).
Or the centerpoint of the model (all)
There are lots of interesting possibilities here -- being able to
reference a point, for example, in another structure:
draw point1 (atomno=1 or atomno=2 or atomno=3)
draw line1 [point1] (atomno=10)
This draws a line (which of course might be measured!) from the
average location of atoms 1-3 to atom 10.
Bob
Miguel wrote:
Hi Bob,
I have been lied low while trying to keep up with all the things you
are up too. Wow!!!
In any case, I think a nice feature would be to also be able to
define lines (or extruded objects) that do not necessarily go through
atoms, but possibly the geometric center of a set of atoms.
Yes. I believe that if a set of atoms is specified then the average of the
points will be used.
Miguel
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Robert M. Hanson, [EMAIL PROTECTED], 507-646-3107
Professor of Chemistry, St. Olaf College
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