Chemistry/File/MDLMol version 0.21
Chemistry/File/SDF version 0.21

This modules read MDL mol and SDF (structure data file) files.

The MDLmol module automatically registers the 'mdl' format with Chemistry::Mol, so that molfiles may be identified and read by Chemistry::Mol::read_mol(). The SDF module registers the 'sdf' format.

CHANGES SINCE VERSION 0.20

• Added automatic aromatization of patterns, as suggested by Peter Spiro.
• Added a new default test subroutine for bonds, that takes aromaticity into account.

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 0.35

Some features such as substructure search also require other modules:

Chemistry::Pattern
Chemistry::Ring

COPYRIGHT AND LICENSE

Copyright (C) 2009 Ivan Tubert-Brohman <itub@cpan.org>

This library is free software; you can redistribute it and/or modify it under the same terms as Perl itself.