[PyMOL] isoprobability ellipsoids

[Tim F. <fe...@st...>]

I finally spent a few minutes to learn enough PyMOL to write a quicky
script to render isoprobability ellipsoids using ADPs in a PDB file or
by generating Ueq's from B factors.  It uses PyOpenGL, MMTK and
numerical python, so there are a few dependencies.  It also won't work
with PyMOL's raytracer until the code is implemented to analytically
describe quadrics to the raytracer engine.  Also, PyMOL doesn't read
in ANISOU records, so passing PyMOL atom selections to the script is
currently a no-go - entire PDB files have to be passed, so they can be
parsed by MMTK instead.  Anyway, its a start.  ;)

I've posted it here, with a few examples:

http://www.stanford.edu/~fenn/scripts.html

Regards,
-Tim F.

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        Tim Fenn
        fe...@st...
        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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