[Chimera-users] thermal ellipsoids
Dipl.-Ing. Thomas Mitterfellner
thomas.mitterfellner at tugraz.at
Tue Jul 7 10:09:01 PDT 2009
> Currently it works only using the information in ANISOU records of PDB
> files. You would just open the PDB file as usual, then use the Thermal
> Ellipsoids tool (under Tools... Structure Analysis). It is fairly
> self-explanatory, but there is also documentation -- just click the Help
> button on the dialog or see the copy at our site:
I'm very happy to see this working!
At the risk of sounding ungrateful -- I'd like to request two features.
The first one: it is quite common to plot thermal ellipsoids on some
probability level (e.g. 30% or 50%). Unfortunately, I don't know how
these Values correspond to the scaling factor that currently controls
the size of the ellipsoids. Could you implement this kind of scaling as
a feature or point out, if/how these two measures correspond to each other?
The second one: could you possibly implement it as a feature, that the
lines resulting from the intersection of the main planes (xy, xz, yz)
with the surface of the ellipsoid (the principal ellipses) can be
Thank you very much, kind regards,
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