SpecP: A tool for spectral partitioning of protein contact graph

SpecP is an open-source Python module that performs Spectral Partitioning on Protein Contact Graphs. Protein Contact Graphs are graph theory based representation of the protein structure, where each amino acid forms a ‘vertex’ and spatial contact of any two amino acids is an ‘edge’ between them. Spectral partitioning is carried out in SpecP based on the second smallest spectral value (eigen value) of the Protein Contact Graph. The eigen vector corresponding to the second smallest spectral value are partitioned into two clusters based on the sign of the corresponding vector entry. Spectral Partitioning algorithm is repeatedly carried out until the desired numbers of partitions are obtained. SpecP visualizes the spectrally partitioned clusters of protein structure along with the Protein Contact Map and Protein Contact Graph which can be saved for later use. It also possesses an interactive mode whereby the user has the ability to zoom, pan, resize and save these raster images in various image formats (.eps, .jpg, .png) manually. SpecP is a stand-alone extensible tool useful for structural analysis of proteins.