see http://chemapps.stolaf.edu/jmol/docs/#rotateselected and
http://chemapps.stolaf.edu/jmol/docs/#spin
On Tue, May 12, 2009 at 3:57 AM, Ralf Stephan <[email protected]> wrote:
> Hello,
> would it be possible to add the quoted examples to the file
> http://chemapps.stolaf.edu/jmol/docs/ ?
>
> I mean the "Jmol interactive scripting documentation" which
> I'm frequently perusing and which I found most helpful.
>
> You wrote
> > OR:
> >
> > load caffeine.xyz;
> > spin branch {N8} {C19} 50 # CH3 starts spinning around the N8-C19 bond
> >
> > select connected(C19) and not N8
> > rotateSelected {N8} {C19} 30 # CH3 rotates 30 degrees around that bond
> >
> > This second doesn't presume rotation about a bond. The two atoms, N8 and
> > C19, are simply defining an axis of rotation. That could be any two atoms
> or
> > any two points:
> >
> > rotateSelected {0 0 0} {1 1 1} 30
> >
> > or a defined axis and angle:
> >
> > rotateSelected axisangle {1 1 1 30}
> >
> > or, if an axis name is designated, make sure you use "molecular" to refer
> to
> > the molecular axis, not the window axes.
> >
> > rotateSelected molecular x 30
>
>
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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
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it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
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