SingleCrystal

SingleCrystal Publisher's Description:
SingleCrystal is an elegant, easy-to-use program for visualizing and understanding diffraction patterns from single crystals.

SingleCrystal lets you simulate simulation electron diffraction patterns and reciprocal lattice sections - which can be compared directly with observed data. The program also lets you display stereographic projections of planes, traces, zones and zone axes. You can rotate crystals with the mouse, or tilt controls, and observe how the diffraction pattern changes. Screen tools allow easy measurement and indexing of reflexions, as well as the display of phase information for scattered beams.

SingleCrystal is designed to work with CrystalMaker, allowing users to visualize more... crystal structures then with a single menu command, display the diffraction pattern in SingleCrystal. The program can also be used as a stand-alone application, reading from CrystalMaker "crystal" files.

WHAT'S NEW

Version 1.3.1:

* Graphics export - with a wide choice of file formats for saving the diffraction pattern or stereographic projection.
* Zone Axis Data Export. SingleCrystal can now generate a listing of zone axis data for a given structure, which provides a very-useful aid in indexing a real diffraction pattern in an unknown orientation.
* Faster Intensity Generation. Calculation of diffraction patterns for large structures with many atoms in the unit cell is now approximately twice as fast!
* Other Changes. The program has a revised interface, updated online help and an all-new user's guide. Other changes include support for pixel graphics more...export under Mac OS X 10.3 "Panther", and improved handling of old-format data files.