https://github.com/becksteinlab/mdanalysis-workshop
MDAnalysis Tutorial at the 2015 CECAM Macromolecular simulation software workshop
https://github.com/becksteinlab/mdanalysis-workshop
Last synced: 9 months ago
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MDAnalysis Tutorial at the 2015 CECAM Macromolecular simulation software workshop
- Host: GitHub
- URL: https://github.com/becksteinlab/mdanalysis-workshop
- Owner: Becksteinlab
- Created: 2015-09-28T21:03:02.000Z (over 10 years ago)
- Default Branch: master
- Last Pushed: 2016-07-22T20:38:27.000Z (over 9 years ago)
- Last Synced: 2025-04-02T06:43:06.813Z (9 months ago)
- Language: Jupyter Notebook
- Homepage: http://becksteinlab.github.io/MDAnalysis-workshop
- Size: 22.3 MB
- Stars: 12
- Watchers: 1
- Forks: 7
- Open Issues: 0
-
Metadata Files:
- Readme: README.md
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README
# MDAnalysis Tutorial at the 2015 CECAM Macromolecular simulation software workshop
## For Participants
Please follow the [preparation
instructions](http://becksteinlab.github.io/MDAnalysis-workshop) in
advanced of the tutorial session on *Wed Oct 14, 2015*. You need to
* [install MDAnalysis](http://becksteinlab.github.io/MDAnalysis-workshop/installation.html#chapter-installing-mdanalysis) on your laptop
* [download the example data](http://becksteinlab.github.io/MDAnalysis-workshop/datadownload.html#chapter-datadownload)
## Background
The [CECAM Macromolecular simulation software
workshop](http://www.cecam.org/workshop-0-1214.html) contains a [CECAM
analysing simulation data
mini-workshop](http://philipwfowler.me/cecam-analysing-simulation-data-mini-workshop/)
lead by Dr Phillip Fowler and as part of these two days, a team of
[MDAnalysis](http://mdanalysis.org) 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](http://nbviewer.ipython.org/github/Becksteinlab/MDAnalysis-workshop/blob/master/notebooks/MDAnalysis_Workshop_Part_1.ipynb)
* [notebooks/MDAnalysis_Workshop_Part_2.ipynb](http://nbviewer.ipython.org/github/Becksteinlab/MDAnalysis-workshop/blob/master/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](http://nbviewer.ipython.org/github/dotsdl/MDAnalysis-workshop-notebook-julich/blob/master/MDAnalysis%20Tutorial.ipynb).