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Re: [ccp4bb]: Water molecule environment

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Dear Loic,

You can check the water environment of your molecule and obtain
a complete table of contacts and distances with the tools
Protein Dossier and/or Contacts in the Sting Millenium Suite (SMS 2.2)
http://mirrors.rcsb.org/SMS/ (mirror site in San Diego)
http://trantor.bioc.columbia.edu/SMS/ (mirror site in New York)
http://www.cbi.cnptia.embrapa.br (Brasil)

or with the Java Protein Dossier tool which is in our beta site.
When you enter the SMS site, there is a link for the beta site SMS 3.0

SMS can be used for all public available pdb files.
It is necessary to register to use local files. 

Paula Kuser

> find a utility which could give me a list of the residues which are 
> (probably) hydrogen-bonded to each of the water molecules.
> I was told that there was a software by B. Hazes that could do this but 
> did not succeed in finding it.
> Thank you very much in advance,
> Loïc
> -----------------------
> Department of Biochemistry - Sanger building
> University of Cambridge
> 80 Tennis Court Road
> CB2 1GA Cambridge - England

Paula Kuser
Centro de BioInformática Estrutural
Embrapa Informática Agropecuária
Telefone: (19) 3789 5830
Fax: (19) 3789 5711
Av. Dr. André Tosello, 209 
Caixa Postal 6041
Cidade Universitária "Zeferino Vaz"
CEP 13083-970 Campinas (SP) - Brasil