IMPROVED COORDINATE RECONSTRUCTION FROM STEREO DIAGRAMS

A program has been written that reconstructs three-dimensional coordin ates for a protein structure given a stereo C-alpha diagram. Initial t hree-dimensional coordinates are determined using an algorithm similar to the one used by Rossmann in the program STEREO. Thereafter the coo rdinates are refined such that the stereo image based on the reconstru cted three-dimensional coordinates optimally fits the scanned stereo i mage while normal C-alpha stereochemistry is enforced.