superimpose

Adrian Goldman, BTK x8029 goldman at ala.btk.utu.fi
Tue Jan 5 04:56:18 EST 1993


In <1992Dec31.051642.25575 at mailer.cc.fsu.edu> rrk at iris3.chem.fsu.edu writes:

> 
> I am looking for a reference that describes the method of superimposing one
> molecular structure onto another.
> 
> I am trying to superimpose a peptide with one set of torsion angles onto the
> same peptide with another set of torsion angles.
> 
> Randy

Well, one reference to start from is Rossmann & Argos, JBC, vol 250,
p7525 (1975).  It should refer you back to an earlier reference by
Bob Diamond.

You should also seriously consider whether what you want to do makes
sense.  The parts of your peptide that are the same will be skewed away
from each other to help fit the parts that aren't.  (The algorithms
typically minimise the least square separation of (eg) alpha-carbons.)

          Adrian Goldman

Goldman at ala.btk.utu.fi



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