If you just want the helical axis, that's just the average of the
quaternion differences for the residues in the helix. One way to get those
is
draw helix
show state/helixaxis
and inspect the reported vectors.
Or you can use
getProperty shapeinfo
or
print getProperty("shapeInfo.draw")
or
print getProperty("shapeInfo.draw.vertices")
No reorientation is necessary
Bob
On Thu, Nov 14, 2013 at 6:28 AM, Sridhar Neelamraju <
[email protected]> wrote:
> Dear all,
> I am looking to find the helical axis of a short 6-10 amino acid chain
> that forms a helix. I will reorient this molecule along the helical axes
> and then calculate certain geometrical quantities. Is there a way to do the
> coordinate transformation in jmol?
>
> Regards
> Sridhar
>
>
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--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr
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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