Hi PyMOLers,
I am trying to use the built-in functionality to draw a user-defined ellipsoid
and I am doing this by adding an extra ANISOU line in my PDB. Here is a test
case:
ATOM 2 CA ALA D 500 -1.217 1.844 -2.065 1.00 1.00
CAANISOU 2 CA ALA D 500 26170 51470 166480 20820 -91370 -57530
CATEREND
The upper triangle of my un-diagonalized, symmetric matrix looks like this:
26.167 2.082 -9.137 5.147 -5.753
16.648
I had read in the PDB format documentation that: 1) The values are given as
U[1,1], U[2,2], U[3,3], U[1,2], U[1,3], U[2,3] 2) And that the values are
scaled by a factor of 10**4
I've tried the "show ellipsoid" example on the PyMOL-Wiki which worked fine. I
just can't seem to get this to work. As well, I've tried the Ellipsoid python
script but the resulting CGO that it draws doesn't seem to be correct.
Any help would be greatly appreciated.
Sean ------------------------------------------------------------------------------
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