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From: jim@doctor.chem.yale.edu (James F. Blake)
Newsgroups: comp.lang.c
Subject: RMS deviation between two sets of cartesian coords
Message-ID: <27599@cs.yale.edu>
Date: 5 Dec 90 04:05:28 GMT
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Organization: Laboratory for Computational Chemistry, Yale University
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     I am looking for code to compute the RMS deviation between two
sets of cartesian coordinates.  The coordinates would be arbitrarily
oriented with respect to each other, so some sort of fitting would
be required (LLSQ, NLLSQ, or simplex).  General or specific code
would be appreciated.  Thanks.

  Jim


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