[Chimera-users] (Thermal ellipsoids) anisotropic temperature factor ellipsoids

[Eric Pettersen]

On Dec 12, 2008, at 10:40 AM, Tom Goddard wrote:

> Hi David,
>
>  Ok I see now, it's a matter of choosing the size of each ellipsoid to
> have a 50% chance of finding the atom in that volume.  This  
> shouldn't be
> too hard but I'll let Eric tackle it if he has time.

Hi David,
	This is one of those things that I'll endeavor to get into Chimera's  
production version of thermal ellipsoids, but that I can't spare the  
time for until then.  My guess is that the eigenvectors/values of the  
U matrix are at the 50% probability level, but verifying that would  
require some research.  If you do look into and find that that's not  
the case, just change the setting of the 'scale' variable of the start  
of the script to change the ellipsoid sizes to whatever size encloses  
50%.

--Eric


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