PolyXSim allows you to simulate crystallographic patterns and diffraction patterns. The first step is to create an input file (ASCII-file with .inp ending)

The format of the file should look like the following:

You will find an extensive example of how to use PolyXSim in this section: Creation of a synthetic dataset

For running the simulation, navigate to the folder where the input file is saved and type to the Konsole

  PolyXSim.py -i 'inputfile'.inp