Installation

afrc requires Python 3.10 or later and depends only on NumPy and SciPy.

From PyPI

Install the latest release with:

pip install afrc

Writing 3D ensembles as XTC trajectories also needs mdtraj, which you can install alongside afrc with:

pip install "afrc[ensemble]"

Either way, installing afrc also installs the afrc-ensemble command-line tool (see Command-line tools).

From GitHub

Install the latest development version with:

pip install git+https://github.com/idptools/afrc.git