This page provides a series of examples, tutorials and recipes to help you get started with mdtraj.

Each subsection is a notebook. To open these notebooks in a “live” Jupyter/IPython session and execute the documentation interactively, you need to download the repository and start the Jupyter notebook.

If you installed MDTraj from source, you will need to navigate to path-to-mdtraj/examples. The notebook files for these examples and the notebooks are available in the top level examples folder on github too. In the directory with the notebook files, start an IPython notebook server:

$ jupyter notebook


The pre-filled out notebooks are far less fun than running them yourself!

Let us know if you would like to contribute other example notebooks, or have any suggestions for how these can be improved.