EDPDB - A MULTIFUNCTIONAL TOOL FOR PROTEIN-STRUCTURE ANALYSIS

EDPDB is a Fortran program that simplifies the analysis of protein str ucture and makes it easy to exact various types of geometrical and bio logically relevant information for the molecule both in isolation as w ell as in its crystallographic context. EDPDB offers a large set of fu nctions by which the user can evaluate, select and manipulate the coor dinates of protein structures. Types of calculation available include the determination of solvent accessibility, bond lengths and torsion a ngles, determination of the van der Waals volume of a group of atoms, determination of the best-fit plane through a set of points, evaluatio n of crystal contacts between a molecule in a crystal and all symmetry -related molecules, and the determination of 'hinge-bending' motion be tween protein domains. It is also possible to compare different struct ures, to perform coordinate manipulations and to edit coordinate files . The program augments the graphic analysis of protein structure by al lowing the user to construct a simple set of commands that will rapidl y screen an entire structure. It may also make special-purpose analyse s feasible without complicated programming.