CARDS-Reader

A library of methods to analyze the CARDS framework

The CARDS-reader is a library of scripts and methods that are built to analyze and work with CARDS data. It contains a series of methods as well a few ready-made apps scripts.

Requirements

CARDS-reader is built to work in python 3. Specifically anything above 3.5 should work.

To use CARDS-reader, the following other python packages must also be installed:

• Enspara (download at https://github.com/bowman-lab/enspara)
• MDTraj (download at mdtraj.org)

Other standard libraries (eg. numpy, scipy, scikit-learn) should also be installed, but are easily available with most package managers such as Anaconda.

Usage

CARDS-reader was built with the enspara package in mind, specifically to analyze CARDS output from enspara.

References

To learn more about CARDS - please see:

• Sukrit Singh and Gregory R. Bowman, "Quantifying allosteric communication via both concerted structural changes and conformational disorder with CARDS". Journal of Chemical Theory and Computation 2017 13 (4), 1509-1517 DOI: 10.1021/acs.jctc.6b01181