Intro to MDAnalysis

Hosted by @orbeckst

Presentation

• introduction to MDAnalysis (PDF)
• introductory notebook presentation.ipynb (executes the commands that are shown in the presentation)

A tour of MDAnalysis

Examples of how to use MDAnalysis to analyze trajectories from MD simulations of a protein.

You can load the notebooks to follow along but note that we will discuss many of the uses in more detail during the following tutorials.

• introduction_MDAnalysis.ipynb
• trajectory_magic.ipynb