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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>
6 lines
215 B
Plaintext
6 lines
215 B
Plaintext
Perl module which provides functions for "canonicalizing" a molecular
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structure; that is, to number the atoms in a unique way regardless of the
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input order.
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WWW: http://search.cpan.org/dist/Chemistry-Canonicalize/
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