CRYSCON is a general crystallographic conversion program, with the following capabilities. See General Procedure for an overview of the main possibilities.
1) Data Entry. Data can be imported from several popular crystallographic file formats, read in through a "free-form" file input, or entered manually.
2) Tranformation of unit cell and atomic coordinates. You can convert to a sub-cell or super-cell or simply translate to a different origin; or any combination of these. When converting to a sub-cell the positions of presumably coincident or superimposed atoms are averaged, and when converting to a super-cell 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 (Control Window, Transformation Parameters dialog).
3) Change of symmetry in the same or different unit cells. You can convert to a sub- or super- symmetry group, or even a non-related space group. As in the case of cell transformation, new atoms are generated and/or old atoms are averaged as necessary, and the result is a set of symmetry-unique atoms for the target cell and symmetry (Control Window, Transformation Parameters dialog).
4) Transformation of anisotropic temperature factors and atomic vectors (e.g. magnetic vectors).
5) Computation of bond lengths and angles in either the original or transformed structures (Bond Lengths and Angles).
6) Conversion of temperature factors among the different common isotropic and anisotropic forms (Export file).
7) Conversion of atomic parameters among several different crystallographic database and structure refinement formats (Export file).
8) Transformation of hkl index data, such as diffraction data (Transformation Parameters dialog).
9) Computation of powder diffraction intensitities and simulation of powder diffractograms (Powder Diffraction).
10) Simulation of precession photographs (Precession Pattern).
11) Expansion of layers, leaving the layers themselves unchanged, creating space in between (Expand Layers).