Subject: CCL: program to determine structurally important water molecules

From: "Donald Keidel" <dopetec[at]dslextreme.com>
Date: Mon, 15 Mar 2004 12:50:16 -0800

Hello,

I am looking for a program (free preferentially) that can find water
molecules in a coordinate file (e.g. pdb) that are structurally important
for the structure of the protein or macromolecule in question and find those
that might not be that important.  Does anyone know if such a program
exists.  I will summarize my results.

Don

----------------------------------------------------------------------------
-----------------------------------
Donald J. Keidel
University of California, Riverside
Department of Biochemistry and Molecular Biology
Riverside, CA 92521
phone:  (909) 787-5493
fax:  (909) 787-4434
dopetec[at]dslextreme.com
webpage: www.biochemistry.ucr.edu/gru/gradstudents/don_keidel/index.htm