Example 2

PIG can also spawn Unit CELL plots

The interactive graphics program PIG displays atom sites, peaks from a Fourier plot, as a 3D stick Dreiding model of connected sites in a molecule of a crystal cell. This model can be rotated, modified, zoomed, expanded (several model-building geometries are provided) or contracted. The output model becomes the retained site coordinates applied to subsequent calculations.

The user may also use PIG to spawn, in the displayed orientation, either an ORTEP plot, or a POV-Ray(TM) plot of the adp ellipsoids. Various button-controls are available in PIG to customise the nature and resolution of these plots.

The sequence of plots shown here is intended to illustrate how the stick image shown on the PIG display is converted into a ORTEP plot (displayed with the program PREVUE), and into a POV-Ray plot. All show the cell in the identical orientation.