Need program for rms deviation calculation

Mary Coventry coventry at chem.washington.edu
Sun Mar 5 01:24:29 EST 1995


In article <199503050124.UAA01297 at postoffice.mail.cornell.edu>,
jle3 at CORNELL.EDU wrote:

> Hello!
> I am looking for a program which will allow me to identify subtle
> differences between two refined structures of the same protein.  I would
> like to find out the overall rms deviation for all heavy atoms at the very
> least.
> Thanks in advance,
> 
> Jennifer Ekstrom
> Cornell University

All modern molecular graghics packages, such as InsightII, Quonta, have
build-in procedures for rms calculation. Check out the user guide of the
program you used for structure refinement !

Oleg Fedoroff
University of Washington



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