| 目的 |
In 1975 the program ECEPP (Empirical Conformation Energy Program for Peptides)(QCPE#286) was introduced to study polypeptide structure. Several discrepancies between observed and calculated result have since been found. The ECEPP potentials were completely corrected by using the ab initio molecular orbital method and recent observed data. The ECEPP83 program with new potential functions and parameters has been found to reproduce the various observed results reported in the reference (P. 26 in the manual).(It is recommended to refer the references and the ECEPP manual.) |