STRUPLO84, a Fortran plot program for crystal structure illustrations in polyhedral representation

STRUPL084 is a Fortran plot program for drawing crystal structures in polyhedral or skeletal representation. All data are read in free format by standard Fortran routines. Atomic positions are also accepted in formats compatible with the input for the programs SHELX and ORFLS. The structure can be rotated by three rotation angles applied to the orthogonal axes. Instead of giving the rotation angles a view direction can be specified. The output includes a list of direct and orthogonal coordinates and tables with interatomic distances and angles. Atoms that were found to form coordination polyhedra are listed separately. The program is `user friendly' inasmuch as an acceptable plot can be achieved with minimum input by making use of the default options. Atoms not belonging to any polyhedra can be drawn as circles with specified radii.