CrystalDiffract lets you simulate diffraction patterns from any crystal structure. If you don't have a crystal structure saved to file, you can create a new structure directly in the program. CrystalDiffract will build you a dummy crystal and simulate its diffraction pattern, before presenting you with a crystal editor.
Do one of the following:
Click the toolbar's Add button, then choose: New Crystal Pattern from its popup menu.
Choose File > Add New Pattern > Simulated Crystal.
See Also