OpenBabel
This software is under support tier 2!
Software description
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.
Homepage: openbabel.org
NSC documentation
Please make sure to read our documentation: OpenBabel
Available Modules
3.1.1-hpc1-gcc-2022a-eb
This is the currently recommended module!
Load with:
[user@system ~]$ module load OpenBabel/3.1.1-hpc1-gcc-2022a-eb