Chemistry::Ring version 0.15
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The Chemistry::Ring module provides some basic methods for representing a ring.
A ring is a subclass of molecule, because it has atoms and bonds. Besides that,
it has some useful geometric methods for finding the centroid and the ring
plane, and methods for aromaticity detection.
The Chemistry::Ring::Find module implements a breadth-first ring finding
algorithm, and it can find all rings that contain a given atom or bond, the
Smallest Set of Smallest Rings (SSSR), or the "almost SSSR", which is an
unambiguous set of rings for cases such as cubane.
This module is part of the PerlMol project, L.
CHANGES SINCE VERSION 0.11
- Find the "almost SSSR" in the molecule.
- Improved aromatize_mol.
INSTALLATION
To install this module type the following:
perl Makefile.PL
make
make test
make install
DEPENDENCIES
This module requires these other modules and libraries:
Chemistry::Mol 0.24
Statistics::Regression 0.15
COPYRIGHT AND LICENSE
Copyright (C) 2004 Ivan Tubert
This library is free software; you can redistribute it and/or modify
it under the same terms as Perl itself.