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=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