freebsd-ports/science/p5-Chemistry-Bond-Find/pkg-descr
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With hat:	perl
2018-05-27 20:15:16 +00:00

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Perl module which provides functions for detecting the bonds in a molecule from
its 3D coordinates by using simple cutoffs, and for guessing the formal bond
orders.
WWW: https://metacpan.org/release/Chemistry-Bond-Find