Chemistry/File/MDLMol version 0.20
Chemistry/File/SDF version 0.20
==================================
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 0.19
- Added support for charges and radicals.
- Add implicit hydrogens on read.
- Support for some query properties: atom lists, bond topology, and
bond types.
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) 2005 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.