Re: [ccp4bb]: B factor plot after anisotropic refinement

[UW/BMSC CCP4 users <ccp4@gouda.bmsc.washington.edu>]

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> From: "David J. Schuller" <djs63@cornell.edu>
> 
> On Sun, 27 May 2001, GUAN wrote:
> 
> > I know how to generate B factor plots of the main chain and side chain
> > with isotropic B factors, but after refining the anisotropic B factors
> > with REFMAC5, how to generate the B factor plots?
> 
> I would recommend checking out PARVATI.
> <http://www.bmsc.washington.edu/parvati/parvati.html>
> This is a web server set up by Ethan Merritt for analyzing anisotropic
> thermal factors. I don't recall whether it gives a per-residue plot like
> you ask, but it gives you overall statistics and points out outliers.

Actually, as of this moment the PARVATI server does not print out a
plot of the isotropic B per residue.  But it could, easily enough.
I'll put a 'beta test' version up at 

	http://www.bmsc.washington.edu/parvati/parvati_new.html

This has the Biso plot, as well as selectable options to use S(u,v) as
a validation criterion and to attempt to deconstruct shelxl-style
residue numbering back into PDB-style chain identifiers.  You're
welcome to try it out, but it's not been extensively tested.
Let me know of any problems.

				Ethan

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Ethan A Merritt                         K428b Health Sciences
Dept of Biological Structure            phone: (206)543-1421
Mailstop 357742         		FAX:   (206)685-7002
University of Washington
Seattle, WA 98195-7742                  merritt@u.washington.edu
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