Chemistry/Bond/Find version 0.10
================================
Detects the bonds in a molecule from its 3D coordinates by using simple
cutoffs. The current version does not guess the bond orders; all bonds will
have a bond order of 1.
This module is part of the PerlMol project, L.
Changes since 0.05:
- Changed the recursive algorithm for a hash bucket algorithm, which
is 2-3 times faster for larger molecules.
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
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.