solvent structure analysis program

Bernhard Rupp rupp1 at llnl.gov
Thu Sep 12 20:25:38 EST 1996


I think I can help you. I have a program that does exactly that, radial
distribution function and water geometry.
Contact me at rupp1 at llnl.gov.
Thx, BR

>
>Dear colleagues,
>
>Before I start programming it myself.....I am looking for programs that can
>perform analyses on the solvent structure in a refined protein structure. In
>particular I am looking for programs that calculate a radial distribution of
>the waters and count for each water molecule the number of neighbour
>connections taking into account symmetry operations.
>
>Does anyone of you have such programs or is aware of any? Authorship will of
>course be appropriately recognized.
>
>Thanks,
>
>Nick Blom
>
>
>-- 
>==================================================================
>Dr. Nick Blom			    Tel  : +1-514-3436111 ext 5352
>Departement de Biochimie	    Fax  : +1-514-3432210
>Universite de Montreal		    Email: nick at bch.umontreal.ca
>C.P. 6128, Station Centre-Ville
>Montreal, PQ, H3C 3J7
>Canada
>==================================================================




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