Chemistry/File::SMILES version 0.30
===================================

This object-oriented module parses a SMILES (Simplified Molecular Input Line
Entry Specification) string. 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 0.21
       - Added write_string (smiles output). Aromatic atoms and disconnected
         structures are still not properly implemented.

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.

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