About CrystalDesigner

CrystalDesigner is a complete tool for building, studying and visualising all kinds of crystal structures on the Macintosh platform. CrystalDesigner is an ideal tool for both teaching and scientific studies. The software is intended to be used by students and teachers at colleges and universities, as well as in industrial research.

From an educational point of view, CrystalDesigner will make the learning of crystallography more interesting and offer a faster way of understanding crystal structures in general. This is possible through the highly intuitive user interface and by all different ways of visualising a crystal structure.

For scientists, CrystalDesigner is a lightning fast way of creating various graphic representations of a crystal structure. Furthermore, the program is an ideal tool for studying coordination around different sites and for studying the packing of a crystal structure.

Entering the crystal structure data
You can enter crystal structure data inside the program or import them from text files. Entering data inside a program has never been easier. You can enter nearly all the data just by clicking. All 230 space groups from the "International Tables for Crystallograpy" and more than 700 different atomic, covalent and ionic radii are built into the program.

Viewing the crystal structure
The crystal structure can be viewed in four different ways; as unit cells or multiples of it; as a plane with a user defined thickness; by coordination around a selected atom within a user defined ratio; or as a molecule defined by the atom positions. All are done in separate graph windows. If you change the crystal structure data, all graph windows based on these data will automatically be updated.

The atoms in the drawing may alternatively be viewed as points, circles or spheres. Bonds between atoms can be created and viewed as lines or cylinders. Groups of atoms can alternatively be viewed as polyhedra.

The crystal structure may be rotated in any direction or around a fixed axis by dragging or by using the arrow keys. Alternatively, you can set the view direction from a dialogue box.

Measurements
Distance, angle and torsion angles between atoms can be measured by selecting different atoms in the drawing. Coordination polyhedra and bonds are automatically calculated by using default values or user specified values.


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