MDRefine 0.0.11

A package to perform refinement of MD simulation trajectories.

A package to perform refinement of MD simulation trajectories. Documentation can be browsed at this page

To install package and dependencies with pip (version from PyPI):

pip install MDRefine

You can install the development version by cloning the repository and, from its root directory, type:

pip install -e .

In case you prefer to install MDRefine in a separate environment to avoid polluting your Python installation with unnecessary packages, we recommend using a Python virtual environment

python3 -m venv env
source env/bin/activate
pip install MDRefine

To load this environment in a new shell, type source /path/to/env/bin/activate.