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417. ENERFT: Energy Fitting Program
by Susan Fitzwater, Rohm and Haas Company, Norristown and McKean Roads, Spring House, Pennsylvania 19477 The energy-fitting program fits the coordinates of a standard geometry model to the coordinates of a polypeptide chain while requiring that the potential energy of the model remain low. The program allows the fitting of a synthetic electron density map computer from the model to the experimental electron density map, rather than fitting model coordinates to guide points, if this is desired. FORTRAN IV (IBM 370/168) Lines of Code: 13,300 |