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energy minimization

Scavetta, Robert D. Scavetta.Robert at mayo.edu
Wed Feb 16 16:46:41 EST 2005

Hi all,

I want to use CNS/XPLOR to do structure and energy minimizations on homology models.  I know some side chains need to be adjusted and want to also find possible problems (clashes) in the models.  Since I have never used CNS/XPLOR in this way before, I could use some suggestions and help (i.e., fix specific atoms (backbone) so that the structure does not blow up.



Robert D. Scavetta, PhD
Special Projects Associate
Mayo Clinic College of Medicine
Department of Biochemistry and Molecular Biology
13400 E. Shea Boulevard
Scottsdale, AZ  85259

(480) 301-6963   phone
(480) 301-7017   fax

Scavetta.Robert at Mayo.Edu

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