Chemistry/File/MDLMol version 0.15
Chemistry/File/SDF version 0.15
==================================
This modules read MDL mol and sd files. Please note that they are at an early
stage of development and implement only a tiny fraction of the standard.
However, it is a the tiny fraction that the author finds useful for a great
fraction of everyday use, so it's not entirely useless.
Chemistry::File::MDLMol reads and writes only the basic connection table; that
is, the coordinates and symbol of each atom, and the type and atoms of each
bond. Chemistry::File::SDF does the same, returning a list of molecules. It
also reads the data items for each molecule.
The MDLmol module automatically registers the 'mdl' format with Chemistry::Mol,
so that PDB files may be identified and read by Chemistry::Mol::read_mol().
The SDF module registers the 'sdf' format.
CHANGES SINCE VERSION 0.10
- Added write_string method to MDLMol.pm and SDF.pm
- Changed SDF data storage attribute to a hash ref in 'sdf/data'
instead of storing each attribute individually. WARNING: incompatible
change.
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
Put the correct copyright and licence information here.
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.
