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:
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.