README
1Chemistry::Canonicalize version 0.10
2====================================
3
4This module provides functions for "canonicalizing" a molecular structure; that
5is, to number the atoms in a unique way regardless of the input order.
6
7The canonicalization algorithm is based on: Weininger, et. al., J. Chem. Inf.
8Comp. Sci. 29[2], 97-101 (1989)
9
10This module is part of the PerlMol project, L<http://www.perlmol.org/>.
11
12INSTALLATION
13
14To install this module type the following:
15
16 perl Makefile.PL
17 make
18 make test
19 make install
20
21DEPENDENCIES
22
23This module requires these other modules and libraries:
24 'Chemistry::Mol' => '0.24',
25
26COPYRIGHT AND LICENSE
27
28Copyright (C) 2004 Ivan Tubert <itub@cpan.org>
29
30This library is free software; you can redistribute it and/or modify
31it under the same terms as Perl itself.
32
33