Difference between revisions of "OpenBabel"
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Latest revision as of 17:51, 19 August 2022
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.
Environment Modules
Run module spider openbabel to find out what environment modules are available for this application.
System Variables
- HPC_OPENBABEL_DIR - installation directory
- HPC_OPENBABEL_BIN - Executable directory
- HPC_OPENBABEL_INC - Includes directory