Hi,
> BETA = 8pi^2/3 RMSD^2
>
> :)
>
> you may be missing a factor here
that may be true and I still could not find a definite citation for that
(in the 10 min I dedicated to the search). My pdb format guide tells me
that B can be calculated from the anisotropic factors as:
B(eq) = 8pi**2 {1/3 [Uxx + Uyy + Uzz]}
Here, U are the mean square displacements in one axis, no? Maybe we are
just comparing two different formulations of the same definition, but if
you have a literature source to clear that up, Id be happy to stand
corrected...
Thomas
Dr. Thomas Steinbrecher
BioMaps Institute
Rutgers University
610 Taylor Rd.
Piscataway, NJ 08854
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Received on Sat Sep 25 2010 - 22:00:03 PDT
