rmsd per residue

C Squire csquire at CCU1.AUCKLAND.AC.NZ
Wed Dec 3 21:54:11 EST 1997


Hello, a very simple question.

When calculating rmsd between coordinates sets using
rmsdplot.inp what exactly does 

vector ident (store 9) (tag)

mean? Manual says this line selects all residues to be analysed
and tag assigns one unique atom per residue.

Is the calculation performed over all atoms in the residue or over only
one? I am confused because when I replace "tag" with "all" I end up
with significant differences in the rmsd.

What is the correct way to get rmsd for all residues and over all atoms
in the residues?

Chris Squire
University of Auckland
Auckland 
New Zealand
e-mail: csquire at ccu1.auckland.ac.nz


 



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