sklemm / rcdk-ng

fork of Rich Apodaca's Ruby CDK

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file LICENSE Tue May 05 08:45:13 -0700 2009 clone from rcdk-0.3.0 [sklemm]
file README Tue May 05 14:36:42 -0700 2009 changed README [sklemm]
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README
=RCDK - The Ruby Interface for the Chemistry Development Kit (CDK) - Next Generation

This is a reuptake of Rich's RCDK,adapted for CDK 1.2.2

RCDK makes it possible to use the Chemistry Development Kit (CDK)
from Ruby. CDK is a Java library for chemical informatics.

==Typical Usage

  require 'rubygems'
  gem 'rcdk'
  require 'rcdk/util'
  
  mol = RCDK::Util::Lang.read_smiles 'c1ccccc1'
  
  puts mol.getAtomCount # =>6
  

==Requirements

RCDK was developed with Ruby 1.8.4. Earlier versions of Ruby
may also be compatible. Ruby Java Bridge is used to interface
to the Java Virtual Machine.

==Installing

The RubyGems package can be installed using the following command
(as root):

gem install rcdk-ng

This command will optionally install Ruby Java Bridge, if it
hasn't been installed yet.

==License
RCDK is distributed under the GNU LGPL version 2.1 (see 'LICENSE').
It contains bytecode from the following sources:

-Chemistry Development Kit (CDK), licensed under the LGPL: http://cdk.sf.net

-Structure-CDK-ng, licensed under the LGPL