Yaff stands for "Yet another force field". It is a pythonic force-field code used by Toon and Louis to test-drive their new models. The original motivation to develop Yaff was to provide a good reference implementation of the force fields developed at the Center for Molecular Modeling (CMM) at Ghent University. In its current version, Yaff is general and flexible enough to handle a large variety of force field models.
More information about Yaff can be found on the CMM Code website: http://molmod.ugent.be/software
Yaff is distributed as open source software under the conditions of the GPL license version 3. Read the file COPYING for more details, or visit http://www.gnu.org/licenses/
Yaff can be installed with pip (system wide or in a virtual environment):
pip install numpy Cython
pip install yaffAlternatively, you can install Yaff in your home directory:
pip install numpy Cython --user
pip install yaff --userLastly, you can also install MolMod with conda. (See https://www.continuum.io/downloads)
conda install -c molmod yaffThe tests can be executed as follows:
nosetests yaff