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CrystalDiffract 3.1 Released
New interface, site occupancy import
- and less memory demands!

CrystalDiffract 3.1 Pro 27 August 2001 CrystalDiffract version 3.1 is released today, with a free update available from this site.

CrystalDiffract 3.1 has a revised interface, designed to improve workflow. Diffraction windows now have permanent status bars and more subtle graphics. Dialogs have been revised, bringing them into line with the improved list editing available with CrystalMaker 5.

Memory requirements have been greatly reduced, with dynamical memory allocated as required - meaning that you can open more diffraction windows without running out of memory. Improvements have also been made to the calculation of diffraction patterns: the total number of "working reflections" has been increased from 9000 to 32000 - so that high-angle reflections for large and complex structures (e.g., zeolites or proteins) can now be generated. Residual intensities can also now be plotted in "film" mode.

One of the major improvements in CrystalDiffract 3.1 is support for the new CrystalMaker 5 binary file format. At last, site occupancies can be saved in CrystalMaker binary files and read directly into CrystalDiffract!


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