Re: artificial B factors from NMR structures

[Jovine Luca <lj1@mrc-lmb.cam.ac.uk>]

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On Mon, 25 Oct 1999, Yu Wai Chen wrote:

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> Hi,
> 
> Can anyone tell me what program I can use to compute artificial
> temperature factors for a NMR structure based on rmsd of the average
> structure?  Thanks.
> 
> Wai

Hello Wai,

have a look at:

   Wilmanns & Nilges, Acta Cryst (1996) D52:973-982
   Molecular Replacement with NMR Models Using Distance-Derived 
   Pseudo B Factors

and also at:

   http://imsb.au.dk/~mok/o/ofaq/Q.879.html

   -> ftp://alpha2.bmc.uu.se/pub/gerard/omac/multi_probe

Concerning the Wilmanns & Nilges method, I have written a Perl program
which will do the job - send me a message if you are interested.

Hope this helps, good luck - Luca