Tutorials

MDAnalysis is primarily a library that allows the user to write their own code. In order to make the transition from using ready-made scripts or tools to writing your own, tutorials are available.

1. The Quick Start Guide should be the first thing you do when you are new to MDAnalysis.
2. The User Guide contains more in-depth material and different tutorials.
3. Workshop 2021 materials
4. Workshop and Hackathon 2018 materials
5. Old MDAnalysis Tutorial: covers installation, important data structures, trajectory analysis, and using algorithms in MDAnalysis.analysis although most things are covered in the Quick Start Guide and are definitely covered in the User Guide

Old material

The following material has not been updated in a long time and might be outdated and not work with modern releases of MDAnalysis. There might still be useful ideas in there but be aware that you might have to figure out how to make it work.

1. A simple tutorial on analysing membrane protein simulations by Phil Fowler
2. MDAnalysis Workshop at the 2015 CECAM Macromolecular simulation software workshop: see the setup instructions and then follow the two Jupyter notebooks MDAnalysis_Workshop_Part_1.ipynb and MDAnalysis_Workshop_Part_2.ipynb
3. SPIDAL: MDAnalysis + Midas tutorial shows how to use radical.pilot to parallelize MDAnalysis scripts; the example is Path Similarity Analysis.