Hi
If you are familiar with turbo-frodo, you can use it for mutagenesis and refinement . Just go inside the editing menu, replace the residue, save the file and REFINE the residue. You can also select the stretch of residues by picking the first and last residues so you will get the refinement (best rotamer) based on local environment.
Amit Luthra, Ph.D.
Post-Doctoral Fellow
The Radolf Laboratory
Department of Medicine
University of Connecticut Health Center
[w] http://spirocheteresearch.uchc.edu
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From: CCP4 bulletin board [[log in to unmask]] On Behalf Of Andreas Förster [[log in to unmask]]
Sent: Thursday, May 12, 2011 11:35 AM
To: [log in to unmask]
Subject: [ccp4bb] mutation and minimization
Hey all,
I would like to introduce point mutations in a structure and quickly
(and dirtily) minimize the new residue. (Best rotamer dependent on
local environment, or the like.) What are simple approaches that don't
involve VMD/NAMD or some such overkill.
Thanks.
Andreas
--
Andreas Förster, Research Associate
Paul Freemont & Xiaodong Zhang Labs
Department of Biochemistry, Imperial College London
http://www.msf.bio.ic.ac.uk
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