Open Babel

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.

Open Babel web site:http://openbabel.org

Installations on NSC systems

Tetralith and Sigma

Open Babel is available via the module system on Tetralith and Sigma. For more information about available versions, please see the Tetralith and Sigma Software list.

How to run

For example:

module load OpenBabel/3.1.1-gcc-2022a-eb
obabel