Simultaneous Crystal/Diffraction Rotation

SingleCrystal can be linked to CrystalMaker, so that you can visualize a crystal structure, simulate its diffraction pattern directly, then have the diffraction pattern automatically rotate when you rotate the crystal structure (or vice versa). We call this "Live Rotation Mode".

To rotate a displayed crystal and its simulated diffraction pattern:

  1. Enable the "Live Rotation" option in CrystalMaker (ensure that the Transform > Single-Crystal Diffraction > Live Rotation Mode menu item is checked).

  2. Choose CrystalMaker's Transform > Single-Crystal Diffraction > New Pattern command. SingleCrystal will be automatically launched (if it isn't already open), and a diffraction pattern simulated.

  3. You can now rotate your structure in CrystalMaker, and see the diffraction pattern rotate in SingleCrystal. Alternatively, you can rotate the diffraction pattern and/or stereographic projection in SingleCrystal, and see the structure rotate in CrystalMaker.

System Requirements: For live rotation, Mac users will require SingleCrystal 2.0 plus CrystalMaker 8.1 or later; Windows users will require SingleCrystal 2.0 plus CrystalMaker 2.1 or later.