Acknowledgements

The initial concept of this project was largely inspired in the pdb-tools one script one action idea; here we then pushed this concept further.

The authors deeply thanks to JoaoRodrigues for all the mentoring on MD and to Susana Barrera-Vilarmau for her intensive usage of the program during the very first development versions, discussion, feedback and suggestions on building a user-friendly interface.

Repository layout and Continuous Integration setup was initially provided by cookiecutter-pylibrary, with final personalized modifications by the authors.