[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]
Re: [ccp4bb]: Water molecule environment
*** For details on how to be removed from this list visit the ***
*** CCP4 home page http://www.ccp4.ac.uk ***
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)
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.
> 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,
> Loic BERTRAND, PhD
> Department of Biochemistry - Sanger building
> University of Cambridge
> 80 Tennis Court Road
> CB2 1GA Cambridge - England
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