pyemap 2.1.0

PyeMap: A python package for automatic identification of electron and hole transfer pathways in proteins.

PyeMap (pronounced Pie-Map) is a python package for automatic identification and visualization of electron and hole transfer pathways in proteins. For single PDB structures, PyeMap identifies and visualizes possible efficient pathways from a specified source residue to the surface or to a specified target residue. For a group of proteins, PyeMap identifies common pathways/motifs which are shared among the PDB structures by mining for common patterns in the set of protein graphs. These shared pathways are then clustered into groups based on their similarity.

PyeMap serves as the back end for eMap, an online platform for identification and visualization of electron and hole transfer pathways in proteins.