Difference between revisions of "OpenBabel"

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m (Text replacement - "#uppercase" to "uc")
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==System Variables==
 
==System Variables==
* HPC_{{#uppercase:{{#var:app}}}}_DIR - Installation directory
+
* HPC_{{uc:{{#var:app}}}}_DIR - Installation directory
* HPC_{{#uppercase:{{#var:app}}}}_BIN - Executable directory
+
* HPC_{{uc:{{#var:app}}}}_BIN - Executable directory
* HPC_{{#uppercase:{{#var:app}}}}_INC - Includes directory
+
* HPC_{{uc:{{#var:app}}}}_INC - Includes directory
 
<!--Configuration-->
 
<!--Configuration-->
 
{{#if: {{#var: conf}}|==Configuration==
 
{{#if: {{#var: conf}}|==Configuration==

Revision as of 21:22, 6 December 2019

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