Installation

At the moment, only installation is only possible from source code. For this, either manually downoload the files or clone the github repo. Use

$ python setup.py install

Before installation make sure you have install all the requirements:

• python

• pip

• numpy

• gemmi

• openmm

• openmmtools

• scipy

• pymbar

• matplotlib

• plotly

• pytest

To run all the tests (can take up to 5 minutes), go to the root directory of the package and run:

$ pytest -v UmbrellaPipeline/tests