To get more of a flavour, take a look at some Screen Shots , or best of all, Download a demo. speci fication graphical tools crystal structure drawing Integrated crystal structure drawing package allows a number of views of the same structure or else comparision of different structures. Plots can be examined using the mouse and keyboard to rotate and zoom the image, or controlled precisely from the Interpreter. Viewing direction may be synchronised with other such windows and with structure display. Simulated pattern may be compared with experimental data in the graphing tool. Profile and peak data may be exported to file.
Scripting language includes utilities for combining plots to form multi-phase patterns or residuals.
Plots may be created from powder simulations, data held in interpreter arrays or read from files in a variety of commonly-used formats. Extensions to core Pascal include exponential operator, dynamic sizing of arrays and enhanced string handling. The interpreter may be used interactively or called to run scripts contained in text files. A library of several hundred crystallographic routines covering atom properties, bonding, cell parameters, symmetry, radiation, reflections, powder simulation, crystal structure drawing and graph plotting. User-scripted routines are easily integrated, so that the system can be customised.