astatide / MolDynPlot

Molecular dynamics simulation plots powered by matplotlib and yaml

Introduction

MolDynPlot is a Python package used to design matplotlib-based figures of Molecular Dynamics (MD) simulation data using the simple text format YAML.

Dependencies

MolDynPlot supports Python 2.7 and 3.4, and requires the following packages:

• h5py
• ipython
• matplotlib
• pandas
• pyyaml
• scikit-learn
• scipy

Installation

Change to the MolDynPlot directory and run:

python setup.py install

Authorship

MolDynPlot is developed by Karl T. Debiec, a graduate student at the University of Pittsburgh advised by Professors Lillian T. Chong and Angela M. Gronenborn.

License

Released under a 3-clause BSD license.