You would use the alternative quartic definition:
isosurface ellipsoid {c0 c1 c2 c3 c4 c5} center {c6 c7 c8}
But that would be rather tricky to determine. The equation is:
c0 x^2 + c1 y^2 + c2 z^2 + c3 xy + c4 xz + c5 yz + c6 x + c7 y + c8 z -
1 = 0
and it is quite complicated to get those right. We might be able to figure
out a way to make that simpler. This allows for a more general ellipsoid.
2010/12/20 Angel Herráez <[email protected]>
> For commands that require an axis via the 3 coordinates for its vector,
> like
> isosurface ellipsoid {cx cy cz f_ab}
> isosurface lobe {cx cy cz f_ab}
> is there a way to set that axis (cx cy cz) based of two atoms?
>
> Say, I want to orientate an ellipsoid centered along a bond.
>
> Thanks
>
>
>
>
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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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