1 commit

Author	SHA1	Message	Date
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