Chemistry/File::SMILES version 0.32 =================================== This object-oriented module parses and produces SMILES (Simplified Molecular Input Line Entry Specification) strings. It is a File I/O driver for the PerMol Toolkit. For more information about SMILES, see The SMILES Home Page at http://www.daylight.com/dayhtml/smiles/ This module is under development and doesn't implement the full SMILES syntax yet. Missing features: * Branches that start before an atom, such as (OC)C, which should be equivalent to C(CO) and COC, according to some variants of the SMILES specification. Many other tools don't implement this rule either. * Proper handling of aromatic atoms. * Unique (canonical) SMILES output. CHANGES SINCE VERSION 0.31 - Changed the way disconnected structures are handled. Now "bonds" of type . (dot) don't produce any bond in the molecule object (previous versions added a bond with order=0). INSTALLATION To install this module type the following: perl Makefile.PL make make test make install DEPENDENCIES - Chemistry::Mol COPYRIGHT AND LICENCE 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.