OpenBabel
Revision as of 21:22, 6 December 2019 by Moskalenko (talk | contribs) (Text replacement - "#uppercase" to "uc")
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_OPENBABEL_DIR - Installation directory
- HPC_OPENBABEL_BIN - Executable directory
- HPC_OPENBABEL_INC - Includes directory
Validation
- Validated 4/5/2018