Re: [ccp4bb]: rmsd calculation

["Eleanor J. Dodson" <ccp4@ysbl.york.ac.uk>]

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Use Superpose molecules in GUI and name the residues you want to match..

( that calls lsqkab)
Eleanor



cheom-gil cheong wrote:
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> 
> Dear all :
> 
> I have a probably trivial question.
> I have two structures where one is apo and the other bound the 
> inhibitor. This protein is composed of three domains. I superimposed 
> these two structures using whole protein and I know rmsd of whole 
> protein. I want to calculate rmsd of only one domain without fitting 
> this domain further because the two structures were superimposed 
> already. Does anyone know how to calculate rmsd with already-fitted 
> coordinates?
> 
> Many thanks in advance.
> 
> 
> Cheomgil Cheong, Ph.D.
> Research Associate
> Department of Molecular Biology
> The Scripps Research Institute
> cheomgilcheong@hotmail.com
> cheong@scripps.edu
> 
> 
> 
> 
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