On Mon, Jul 27, 2009 at 1:35 PM, Ralf Stephan <[email protected]> wrote:
> > I've looked into the generated molecules (something
> > which I should I've done earlier) and the models now
> > contain additional spheres as caps for the wireframe
> > part of the default look.
>
> ... which leads me to another optimization: each bond
> has two sphere caps, the center being the center of
> both cylinder end circles. As far as I can see, the cylinders
> are exactly overlapped such that the end cap spheres
> are on the same position. So, two identical objects at the
> same place. Removing one would give a further 20 per
> cent reduction in size.
Compared to other objects, the sphere's don't amount to much. Yes, 20% is
significant, but surfaces are the real issue. In any case, it's probably not
worth it to go to all the trouble to figure out that a bond already has an
endcap there.
> If you remove only those with identical
> parameters, you still can remove the CPK part and have
> a perfectly smooth wireframe. Of course you could have
> much more if you make the molecule out of those pieces
> (sphere+half bond) that have the same material, anyway,
> but you then lose being able to separate CPK and wire.
> I personally could care less, however. If I want wire only,
> I turn off CPK in Jmol and export then, that's it.
>
> Is there a chance to see one or the other optimization?
>
> Best,
>
> ralf
>
>
>
>
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--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
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