Tutorials

Oliver Beckstein edited this page Mar 2, 2017 · 4 revisions

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. Introductory MDAnalysis Tutorial: covers installation, important data structures, trajectory analysis, and using algorithms in MDAnalysis.analysis
  2. A simple tutorial on analysing membrane protein simulations by Phil Fowler
  3. 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
  4. SPIDAL: MDAnalysis + Midas tutorial shows how to use radical.pilot to parallelize MDAnalysis scripts; the example is Path Similarity Analysis.

Project Information

About
GNU GPL v2 code license
Labels: python, molecular dynamics, analysis, DCD, CHARMM, LAMMPS, NAMD, Gromacs, computer simulation, atoms, coordinates, trajectory, XTC, Library, object-oriented
Core Developers

Essentials

Applications
Downloads
Install
Release Notes
Guide for Developers
Google Summer of Code

Code of Conduct

Links

@mdanalysis on Twitter
Documentation
Tutorials
Downloads (PyPi)
Mailing Lists:
User discussion group
Developer mailing list

Clone this wiki locally
You can’t perform that action at this time.
You signed in with another tab or window. Reload to refresh your session. You signed out in another tab or window. Reload to refresh your session.
Press h to open a hovercard with more details.