A PL/1 PROGRAM SYSTEM FOR GENERALIZED PATTERSON SUPERPOSITIONS

摘要

A new system of three programs written in PL/1 can calculate symmetry and Patterson superposition maps for triclinic, monoclinic and orthorhombic space groups as well as any. space group reducible to one of these three. These programs are based on a system of FORTRAN programs developed at Ames Laboratory, but are more general and have expanded utility, especially with regard to large unit cells. The program PL1GEN calculates a direct access data set, SYMPL1 calculates a direct access symmetry map, and ALSPL1 calculates a superposition map using one or multiple superpositions. A detailed descrip¬tion of the use of these programs including symbolic program listings is included.