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Re: [ccp4bb]: Waters!

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> 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
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