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ICHEC Software

Information about software packages installed on the ICHEC systems.

OpenBabel

Versions Installed

Stokes: 2.3.0 / 2.3.1

Stoney: 2.3.0

Description

Open Babel is an open source software package for searching, converting, analyzing, and storing chemical data.

License

Open Babel is free software distributed under the GPL license

Benchmarks

N/A.

Additional Notes

To use openbabel load the relevant environment module:

module load openbabel/2.3.0

The openbabel module also includes other packages: oasa v0.13.1, Imaging v1.1.7, and from silicos: pharao v3.0.3, sieve v3.1.0, piramid v1.0.1, and stripper v1.0.4.

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