OpenBabel

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Description

openbabel website  

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