On Mon, Feb 19, 2007 at 03:52:47PM -0800, David Shin wrote:
>
> I'd like to make some anisotropic b-value thermal ellipsoids using PyMol.
> I found one script at google, but can't get it to recognize the 5 programs
> I had to download to try to get it to run.
>
> Does anyone have an easy way to do this. I want to use the ANISOU terms
> genereated by shelxl.
>
Pymol doesn't read in the ANISOU records to begin with, so you need to
either use a different program or read in the ANISOU records via some
other mechanism and calculate the eigensystem yourself. However,
pymol's raytracer also doesn't understand quadrics, so you won't be
able to raytrace them unless the code has been added since I last
checked, or unless you describe the surface via more simplified means
that pymol's raytracer can understand.
-Tim
--
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Tim Fenn
f...@stanford.edu
Stanford University, School of Medicine
James H. Clark Center
318 Campus Drive, Room E300
Stanford, CA 94305-5432
Phone: (650) 736-1714
FAX: (650) 736-1961
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