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Open Babel

Introduction

Open Babel is a chemical toolbox mainly for data format conversion. It can read and write over a hundred chemical file formats. The Open Babel Home Page.

Version

Several versions are available at OSC. Search for openbabel in this list:

module avail

Availability

Open Babel is available on the Glenn Cluster.

Usage

Open software. No license agreement.

Location

The root of the Open Babel directory trees is /usr/local/src/cheminfo

Execution

Open Babel usage is controlled via modules. Load one of the Open Babel modulefiles at the command line, in your shell initialization script, or in your batch scripts, for example:

module load openbabel

Documentation

General documentation is available at the Open Babel Home Page and in the doc subdirectory.