PyInteraph

PyInteraph is a software research tool for the analysis of structural communication protein ensembles. It has been designed to analyze MD and structural ensembles with attention to binary interactions between residues, such as hydrogen bonds, salt bridges, and hydrophobic interactions. Once the interactions have been calculated, it is able to use different classes of intra- and intermolecular interactions, combined or alone, to calculate comprehensive interaction graphs. These graphs can be thoroughly analyzed using included network analysis tools, which are able to point out the most important features of the network for the discovery of paths of structural communication in proteins. The tool works best together with the xPyder PyMOL plugin ( http://xpyder.sourceforge.net ), which allows for further analysis and easily understandable representation of the calculated networks and graphs.