From owner-chemistry@ccl.net Wed Nov 17 14:41:01 2010
From: "Sergio Emanuel Galembeck segalemb-.-usp.br" <owner-chemistry~!~server.ccl.net>
To: CCL
Subject: CCL: How to analyze a series of conformers
Message-Id: <-43177-101117144017-24773-MSquwZAphOneGZ3KEO+lqA~!~server.ccl.net>
X-Original-From: Sergio Emanuel Galembeck <segalemb,+,usp.br>
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Date: Wed, 17 Nov 2010 17:40:09 -0200
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Sent to CCL by: Sergio Emanuel Galembeck [segalemb]_[usp.br]
Hello,

    I am doing a conformational analysis of an organic molecule.
After the conformer generation and geometry optimization I
obtained 38 low energy conformers. What is the best idea to analyze
them, grouping conformers with similar conformations? Are there some
free software that make this kind of analysis? Some years ago I did a
work that used clustering techniques, but now I am curious if there are
other techniques to do this kind of analysis.

            Thanks,

                  Sergio Emanuel Galembeck