[ccp4bb] RMSD of pairs of atoms?

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CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

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Date: 2007-03-01

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From: James {- dot -} Whisstock {- at -} MED {- dot -} MONASH {- dot -} EDU {- dot -} AU
Date: 2007-03-01

Subject: RMSD of pairs of atoms?
From: jyl {- at -} MRC-LMB {- dot -} CAM {- dot -} AC {- dot -} UK
Date: 2007-03-01

Risking a potentially trivial question:

Is there a program that will calculate the RMS of distances
between specified (listed) atoms in two different structures?

As far as I could see, LSQMAN will only compute same with same?

Calculate RMSD of M1 A20 A30 A40 A50
And M2 A20 A30 A41 A50
Atom types
CA

B-factor range used: -1000.00 - 10000.00 A2
Nr of atoms to match : ( 3)
Nr skipped (B limits) : ( 0)

Many thanks,
jan

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Jan Lowe email: jyl@mrc-lmb.cam.ac.uk
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CCP4bb navigation

CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

Previous message:
Subject: Re: process SeMet labelled data
From: James {- dot -} Whisstock {- at -} MED {- dot -} MONASH {- dot -} EDU {- dot -} AU
Date: 2007-03-01