Detect bonds in a molecule and assign formal bond orders
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.
$
pkg install p5-Chemistry-Bond-FindOrigin
science/p5-Chemistry-Bond-Find
Size
36.5KiB
License
ART10, GPLv1+
Maintainer
perl@FreeBSD.org
Dependencies
2 packages
Required by
5 packages