[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]
[ccp4bb]: rmsd calculation
*** For details on how to be removed from this list visit the ***
*** CCP4 home page http://www.ccp4.ac.uk ***
Dear All,
In LASQMAN programme,"rmsd m1 a26-36 m2 a26" command mean that it will
calculate the rmsd of molecule 1 A chain 26-36, and the rmsd of molecule
2 A chain 26-36. Please tell me.
Many thanks in advance.
Blaise M.
------------------------------------------------------------
"The more we learn the more we realize how little we know." -
R.Buckminster Fuller
Blaise M.
Graduate Student,
Department of Psychopharmacology,
National Institute of Mental Health And Neuro Sciences (NIMHANS),
Bangalore-560029,
India. Tel: 91 80 6995113.
-----Original Message-----
From: "cheom-gil cheong" <cheomgilcheong@hotmail.com>
To: ccp4bb@dl.ac.uk
Date: Fri, 11 Apr 2003 18:57:44 -0500
Subject: [ccp4bb]: rmsd calculation
> *** For details on how to be removed from this list visit the ***
> *** CCP4 home page http://www.ccp4.ac.uk ***
>
>
> 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
>
>
>
>
> _________________________________________________________________
> The new MSN 8: advanced junk mail protection and 2 months FREE*
> http://join.msn.com/?page=features/junkmail
>