=RCDK - The Ruby Interface for the Chemistry Development Kit (CDK) 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' require_gem 'rcdk' require 'rcdk/util' mol = RCDK::Util::Lang.read_smiles 'c1ccccc1' puts mol.getAtomCount # =>6 ==Downloading Both a RubyGems installation package and a full source package can be obtained from: http://rubyforge.org/projects/rcdk ==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 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 -OPSIN, licensed under the Artistic License: http://sourceforge.net/projects/oscar3-chem/ -Structure-CDK, licensed under the LGPL: http://sf.net/projects/structure