Introduction

Open Babel is a chemical toolbox designed to speak the many languages
of chemical data. It's an open, collaborative project allowing anyone
to search, convert, analyze, or store data from molecular modeling,
chemistry, solid-state materials, biochemistry, or related areas.

• Ready-to-use programs, and complete programmer's toolkit
• Read, write and convert over 90 chemical file formats
• Filter and search molecular files using SMARTS and other methods
• Generate 2D and 3D coordinates for SMILES, InChI and other formats
• Supports molecular modeling, cheminformatics, bioinformatics,
  organic chemistry, inorganic chemistry, solid-state materials,
  nuclear chemistry...

Usage

Environment Variables
==================
Open Babel uses a few environment variables to find things at
runtime. If Open Babel is installed to the location specified at
compile time, none of these variables need to be set.

BABEL_LIBDIR - the location of Open Babel format plugins
BABEL_DATADIR - the location of the data files

module load openbabel/2.3.2

Installation

Download: http://openbabel.org/wiki/Get_Open_Babel

cd /sw/openbabel
tar -xvf /tmp/openbabel-2.3.2.tar.gz
mv openbabel-2.3.2 2.3.2
cd /sw/openbabel/2.3.2
mkdir build
cd build
cmake  -DCMAKE_INSTALL_PREFIX=/sw/openbabel/2.3.2/  /sw/openbabel/2.3.2/
make -j2
make test
make install

Reference

1. http://openbabel.org/wiki/Main_Page
2.