MDAnalysis Tutorial at the 2015 CECAM Macromolecular simulation software workshop

For Participants

Please follow the preparation instructions in advanced of the tutorial session on Wed Oct 14, 2015. You need to

• install MDAnalysis on your laptop
• download the example data

Background

The CECAM Macromolecular simulation software workshop contains a CECAM analysing simulation data mini-workshop lead by Dr Phillip Fowler and as part of these two days, a team of MDAnalysis developers (Oliver Beckstein, David Dotson, Tyler Reddy, Phil Fowler) will be at hand to give an introduction to the MDAnalysis Python library and be available to help with projects during the hackathon.

Workshop

The workshop session was held by David and Oliver, with the introductory presentation in the talk directory (PDF and Keynote 08 format). They live-coded in an ipython notebook, following the notes in

• notebooks/MDAnalysis_Workshop_Part_1.ipynb
• notebooks/MDAnalysis_Workshop_Part_2.ipynb

The live-coded notebook was regularly synced to [dotsdl/MDAnalysis-workshop-notebook-julich/MDAnalysis Tutorial.ipynb](https://github.com/dotsdl/MDAnalysis-workshop-notebook-julich/MDAnalysis Tutorial.ipynb) (by running a small git commit -m "bump" "MDAnalysis Tutorial.ipynb"; git push script from a hotkey (or cron), which allowed students to catch up by reloading MDAnalysis%20Tutorial.ipynb.