Difference between revisions of "OpenBabel"
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Moskalenko (talk | contribs) m (Text replacement - "#uppercase" to "uc") |
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==System Variables== | ==System Variables== | ||
| − | * HPC_{{ | + | * HPC_{{uc:{{#var:app}}}}_DIR - Installation directory |
| − | * HPC_{{ | + | * HPC_{{uc:{{#var:app}}}}_BIN - Executable directory |
| − | * HPC_{{ | + | * HPC_{{uc:{{#var:app}}}}_INC - Includes directory |
<!--Configuration--> | <!--Configuration--> | ||
{{#if: {{#var: conf}}|==Configuration== | {{#if: {{#var: conf}}|==Configuration== | ||
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<!--Turn the Table of Contents and Edit paragraph links ON/OFF--> | <!--Turn the Table of Contents and Edit paragraph links ON/OFF--> | ||
__NOTOC____NOEDITSECTION__ | __NOTOC____NOEDITSECTION__ | ||
| + | =Validation= | ||
| + | * Validated 4/5/2018 | ||
Revision as of 21:22, 6 December 2019
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