mdanalysis¶
Description¶
MDAnalysis is an object-oriented python toolkit to analyze molecular dynamics trajectories
Environment Modules¶
Run module spider mdanalysis to find out what environment modules are available for this application.
Environment Variables¶
- HPC_MDANALYSIS_DIR - installation directory
- HPC_MDANALYSIS_BIN - executable directory
Additional Usage Information¶
If you publish research that uses mdanalysis you have to cite it as follows:
When using MDAnalysis in published work, please cite Michaud-Agrawal2011 and Gowers2016.
MDAnalysis also contains specific algorithms and whole analysis modules whose algorithms have also been published in the scientific literature. Please make sure to also reference any Citations for Included Algorithms and Modules in published work.
Categories¶
physics, biology