Chemistry::File::SMILES version 0.46
====================================
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 (
http://www.perlmol.org/).
For more information about SMILES, see The SMILES Home Page at
http://www.daylight.com/dayhtml/smiles/
CHANGES SINCE VERSION 0.45
- Added a couple of non-standard symbols for convenient pseudo-atoms
R and X. (Liliana Felix Avila)
INSTALLATION
To install this module type the following:
perl Makefile.PL
make
make test
make install
DEPENDENCIES
Chemistry::Mol 0.30
Chemistry::Canonicalize 0.10
Chemistry::Bond::Find 0.21
Chemistry::Ring::Find 0.10
List::Util 0
COPYRIGHT AND LICENSE
Copyright (C) 2009 Ivan Tubert-Brohman <
[email protected]>
This library is free software; you can redistribute it and/or modify
it under the same terms as Perl itself.