ProLint is a Python library for analyzing biomolecular interactions from molecular dynamics simulations. Built on MDAnalysis, it offers great efficiency in contact calculations and trajectory manipulation, proposing a simple four-step workflow: load your simulation, compute contacts between user-defined atom groups, analyze the results, and generate publication-ready plots. In addition, it provides a React-based web dashboard for interactive exploration of interaction results. You can details on how to use prolint2 in the documentation.

• Installation
• How to contribute?
• License
• Copyright
• Acknowledgements

To install prolint2 we recommend creating a new conda environment as follows:

   conda create -n prolint python=3.10
   conda activate prolint

Then you can install prolint via pip:

   pip install prolint

If you find a bug in the source code, you can help us by submitting an issue here. Even better, you can submit a Pull Request with a fix.

We really appreciate your feedback!

Source code included in this project is available under the MIT License.

Copyright (c) 2026, Daniel P. Ramirez-Echemendia & Besian I. Sejdiu

The respository structure of ProLint2 is based on the Computational Molecular Science Python Cookiecutter version 1.6.