The ProCESS Program

Protein Conformational Ensemble System Setup Energy

ProCESS is a tool to setup protein files for their use with FITTED.

This program assigns the advanced residue names, advanced hydrogen names, atom types, and charges for the protein. ProCESS creates interaction sites within the active site cavity. The hydrogen bond donor (HBD), acceptor (HBA) and hydrophobic (HYD) interaction sites are created by locating spheres complementary to the properties of the binding site residues. These interaction sites are used by FITTED for the matching algorithm and the scoring (match score).

More details about the ProCESS program can be found in the references.