Martin Wilke b9c5628b0d Perl module which provides functions for "canonicalizing" a molecular ... structure; that is, to number the atoms in a unique way regardless of the input order. WWW: http://search.cpan.org/dist/Chemistry-Canonicalize/ PR: ports/145143 Submitted by: Steve Wills <steve at mouf.net>		2010-04-02 15:25:12 +00:00
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