[Chimera-users] thermal ellipsoids

Dipl.-Ing. Thomas Mitterfellner thomas.mitterfellner at tugraz.at
Tue Jul 7 10:09:01 PDT 2009

Hello again!

> 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:
> <http://www.cgl.ucsf.edu/chimera/docs/ContributedSoftware/thermal/thermal.html>

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 
displayed ?

Thank you very much, kind regards,


More information about the Chimera-users mailing list