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 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 is new in this release:
- Multi-Touch. SingleCrystal 2.3 supports standard pinch/zoom and rotate trackpad gestures for scaling or rotating your pattern (or any selected screen tool).
- Retina Graphics. SingleCrystal 2.3 fully supports "Retina" graphics on new Macs, with beautifully-detailed diffraction displays and user interface elements.
- CrystalMaker 9 Support. SingleCrystal can read from new CrystalMaker 9 binary files (in addition to earlier CrystalMaker file formats).
- Intel Only. After many years of continuous support, we are no longer able to support the obsolete PowerPC hardware platform. SingleCrystal 2.3 is now an Intel-only application, and requires OS X 10.6 "Snow Leopard" or later. Note: by making this change we are able to support newer operating system features, including multi-touch and "Retina" graphics. Users with unsupported configurations should not install this update, and should continue running SingleCrystal 2.2. However, they will not be able to use our newer software, including CrystalMaker 9 and CrystalDiffract 6.
- New Software Licensing Agreement. You must agree to this when installing a new version of the software.
- Fixed a an orientation glitch when reading a structure from a crystal file. The orientation matrix was being recalculated, even though the structure had been saved with an explicit orientation. Orientations will now correctly reflect the saved state of your crystal structure.
- Editing the unit cell parameters (via the Edit > Crystal command) now correctly updates the reciprocal orientation matrix.
- Updated User's Guide and Online Help.
This free demo version lets you simulate diffraction patterns and work with stereographic projections. However, a spoiler is displayed in the main window and data export/printing are not fully enabled.