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.