Technical requirements for data analysis

You will require following tools for executing the practicals in this course:

Operating system: Ubuntu 22.04

Molecular dynamics practicals

For the molecular dynamics practical the following software and libraries are required:

• python (3.10 or newer) – https://www.python.org/downloads/release/python-3115/
• Python package: Jupyter notebook – https://jupyter.org/
• Python package: MDanalysis – https://pypi.org/project/MDAnalysis/
• Python package: Pandas
• Python package: plotlty
• Python package: matplotlib
• GROMACS – http://www.gromacs.org/
• PyMol – https://pymol.org/2/
• nglview