Getting started

Installing pymbar

conda (recommended)

The easiest way to install the pymbar release is via conda:

::

$ conda install -c omnia pymbar

pip

You can also install pymbar from the Python package index using pip:

::

$ pip install pymbar

Development version

The development version can be installed directly from github via pip:

::

$ pip install git+https://github.com/choderalab/pymbar.git

Running the tests

Running the tests is a great way to verify that everything is working. The test suite uses nose, in addition to statsmodels and pytables, which you can install via conda:

::

$ conda install nose statsmodels pytables

You can then run the tests with:

::

$ nosetests -vv pymbar