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.