Re: [ccp4bb]: Waters!

[<rams@poori.biochem.uiowa.edu>]

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Thanks a lot Gerard!

that worked like MAGIC!!

Rams.

On Wed, 7 Aug 2002, Gerard "DVD" Kleywegt wrote:

> > is there a program that will take a protein structure with waters and 
> > give a list of the waters that are buried/ or strip of the waters on the 
> > surface....
> 
> maybe unexpected, but MAMA actually does this. make a
> quick and dirty mask around your molecule, expand a
> couple of times, contract a couple of times (to fill
> cavities etc) - then use the ATom_fit command; see
> http://xray.bmc.uu.se/usf/mama_man.html#S22
> 
> --dvd
> 
> ******************************************************************
>                         Gerard J.  Kleywegt
>     [Research Fellow of the Royal  Swedish Academy of Sciences]
> Dept. of Cell & Molecular Biology  University of Uppsala
>                 Biomedical Centre  Box 596
>                 SE-751 24 Uppsala  SWEDEN
> 
>     http://xray.bmc.uu.se/gerard/  mailto:gerard@xray.bmc.uu.se
> ******************************************************************
>    The opinions in this message are fictional.  Any similarity
>    to actual opinions, living or dead, is purely coincidental.
> ******************************************************************
> 
> 

-- 
S. Ramaswamy
Department of Biochemistry.
University of Iowa.