SingleCrystal 3

Description

SingleCrystal 3 Introducing SingleCrystal 3 From the classroom to the laboratory to the synchrotron: SingleCrystal is the easiest way to visualize and understand diffraction properties of crystals. SingleCrystal lets you simulate X-ray, neutron and electron diffraction patterns from single crystals, display reciprocal lattice sections and construct stereographic projections of planes or vectors. By combining a simulated pattern with an observed diffraction image, you can auto-index the pattern and determine the orientation of your crystal. Interactive Diffraction Simulation SingleCrystal provides simulation of key diffraction techniques - Laue, Precession & transmission electron diffraction - with control over sample and instrumental parameters. Reciprocal lattice sections can also be visualized, with control over layer height. SingleCrystal 3's multi-core architecture dramatically accelerates simulation times for massive structures such as proteins. Once the intensity calculation is complete, diffraction patterns can be rotated in real time using the mouse or multi-touch gestures on the trackpad. SingleCrystal supports high-resolution "Retina" graphics on the latest iMac and MacBook/Pro computers. Measure and Explore SingleCrystal can label reflexions, show systematic absences, and lets you measure distances and angles between diffraction spots. You can colour-code your patterns by intensity, wavelength, or even phase angle. Diffraction- and structural data can be browsed and sorted on screen. You can edit lattice parameters and site occupancies - and opt to exclude certain sites from the diffraction calculation.

Download

Related recommendations