[Chimera-users] thermal ellipsoids
pett at cgl.ucsf.edu
Mon Jul 6 14:13:27 PDT 2009
After comparing with ellipsoids from various other programs I now do
see some differences. I've open a Trac ticket (#7446) for this
problem so that you will be notified of any progress on the issue. I
should have some kind of resolution in the next day or three. If you
wanted to send along some examples of expected output I would be happy
to check any fix I make against them.
UCSF Computer Graphics Lab
On Jul 5, 2009, at 11:37 PM, Michael K. Gilson wrote:
> Chimera and PyMol are showing very different thermal ellipsoid
> orientations for the same PDB file, and I have reason to believe that
> the PyMol display is the right one.
> Here are the first two lines of the PDB file I am reading in:
> Atom 1 O1 CUC 1 3.345 1.613 0.172
> ANISOU 1 O1 CUC 1 619 156 528 150 43 -6
> ATOM 2 O2 CUC 1 -1.699 0.125 2.792
> ANISOU 2 O2 CUC 1 497 355 848 128 -68 204
> I would appreciate help with this because Chimera appears to provide
> more detailed control of the coloring of the ellipsoids than PyMol
> I'll be happy to provide screenshots or other information.
> Chimera-users mailing list
> Chimera-users at cgl.ucsf.edu
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