^New! CRYSCON -- general crystallographic conversion utility -- Shareware (for Windows).

Data can be imported from (and exported to) several popular crystallographic file formats (see File Formats Supported), through a "free-form" file input, or entered manually.

You can convert to a sub-cell or super-cell or simply translate to a different origin or interchange axes; or any combination of these. You can convert to a sub- or super- symmetry group, or even a non-related space group. When converting to a sub-cell or to higher symmetry the positions of presumably coincident or superimposed atoms are averaged, and when converting to a super-cell or lower symmetry the extra symmetry-unique atoms which may be required are generated. In any case the result is a set of symmetry-unique atoms for the target cell and symmetry, suitable for entry into crystallographic software such as Fourier analysis, least-squares refinement or structure drawing.

Other features include computation of bond lengths and angles; simulation of powder diffractograms and precession photographs; transformation and reorientation of anisotropic temperature factors and magnetic or other vectors; and transformation of (hkl) index data, such as diffraction data.

Cryscon is shareware.   Download CRYSCON (beta-test version) for Windows (Release 1/17/00)