Subject: aligning structures via vector products - any good methods?

From: Konstantin Kudin <konstantin_kudin~at~yahoo.com>
Date: Mon, 27 Sep 2004 15:12:03 -0700 (PDT)

Hi there,

 I would like to align 2 structures via rotating one of them such that
the sum of vector products between them is 0. More specifically:

\sum_i m_i (r_1i x r_2i) = 0

 Does anyone know of a good method that does that?

 Thanks!
 Kostya

P.S. 

 One can also align things via list squares fit by minimizing
{\sum_i m_i |r_1i - r_2i|^2}, but this is not what I need. The
reference for this method is:
S. K.Kearsley, Acta Cryst.  A45, 208 (1989).
http://www.ccl.net/cca/software/SOURCES/FORTRAN/fitest/index.shtml

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