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

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