Getting started

Installing `pymbar`

This documentation covers pymbar 4. For the previous versions of pymbar, see: pymbar 3.0.7.

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

$ conda install -c conda-forge pymbar

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

$ pip install pymbar

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

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

In beta testing, this is way to download pymbar 4.

Running the tests is a great way to verify that everything is working.

The test suite uses pytest, in addition to statsmodels and pytables, which you can install via conda:

$ conda install pytest statsmodels

You can then run the tests from within the pymbar directory with:

$ pytest -v pymbar