Number the atoms in a molecule in a unique way
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.
$
pkg install p5-Chemistry-CanonicalizeOrigin
science/p5-Chemistry-Canonicalize
Size
18.7KiB
License
ART10, GPLv1+
Maintainer
perl@FreeBSD.org
Dependencies
2 packages
Required by
4 packages