OpenBabel
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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.
Required Modules
Serial
- openbabel
System Variables
- HPC_{{#uppercase:openbabel}}_DIR - Installation directory
- HPC_{{#uppercase:openbabel}}_BIN - Executable directory
- HPC_{{#uppercase:openbabel}}_INC - Includes directory