Rino - The InChI Library for Ruby

Rino is a Ruby library for generating InChI identifiers from molfiles. It is a thin wrapper around the C InChI toolkit (www.iupac.org/inchi/) developed at NIST and IUPAC.

Typical Usage

require 'rubygems'
require_gem 'rino'

reader = Rino::MolfileReader.new
inchi = reader.read(IO.read('benzene.mol'))

puts inchi -> 'InChI=1/C6H6/c1-2-4-6-5-3-1/h1-6H'

Downloading

Both a RubyGems installation package and a full source package can be obtained from:

rubyforge.org/projects/rino

Requirements

Rino was developed with Ruby 1.8.4. Earlier versions of Ruby may also be compatible.

Installing

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

gem install rino

License

Rino is distributed under the GNU LGPL version 2.1 (see ‘LICENSE’). It contains source code from the InChI software distribution version 1.0.0, itself licensed under the LGPL.

Contact

More information can be found at rino.rubyforge.org.