Chemistry/File::SMILES version 0.40
===================================

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/

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.

CHANGES SINCE VERSION 0.33
       - Added canonicalization (unique SMILES) and aromaticity support.

INSTALLATION

To install this module type the following:

  perl Makefile.PL
  make
  make test
  make install

DEPENDENCIES
       Chemistry::Mol              0.24
       Chemistry::Canonicalize     0.10
       Chemistry::Bond::Find       0.21
       Chemistry::Ring::Find       0.10
       List::Util                  0

COPYRIGHT AND LICENSE

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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