Diffraction Data Analysis on the NetBeans Platform
The Netcrystals software, created in Austria, is a multipurpose scientific software that is mainly related to crystallography and diffraction. The software allows the user to create crystals from an asymmetric cell, using Wyckoff positions and symmetry information.
Crystals can be displayed and manipulated graphically in a 3D environment.
Zooming into the bottom left window above, the crystal and associated data is structured in a logical manner:
The software can also be used to easily build molecules and use the molecules as a motif for constructing the appropriate crystal using symmetry operations.
Future releases of the software will allow the user to use the crystal data to calculate precise diffraction patterns. The final version of the software should enable the user to use empirical diffraction data for recalculation of the crystal structure using appropriate scientific methods.