DIAMOND - A VISUAL CRYSTAL STRUCTURE INFORMATION SYSTEM by K.Brandenburg, University of Bonn, Germany

Scientists, interested in crystal structures, want to handle crystal structure information independent of their origin. A general system should therefore manage information from all sources: CRYSTMET, CSD, ICSD, PDB as well as CIF's and SHELX files from the crystallographers own laboratory.

Retrieval should be possible for all kinds of queries: chemical and structural, mineralogical and technical, symmetry and bibliography relevant questions.

The system should support all further investigations based on structural information: calculation of atomic distances, statistical evaluation, relations between structures, estimation of physical properties, etc. Last but not least an informative threedimensional representation of any structure should be available and results should be transferable to any other medium.

All these features should be possible without tricky commands in modern menue technique with window and point-and-click functions. DIAMOND is designed to fulfill all these conditions. Up to now the basic functions are available with special accent on the visualization of structures. Wireframe, ball-and-stick, space-filling and polyhedra models are supported. Infinite lattices can be built up step by step by adding spheres around initial atoms. Molecular fragments are found and completed automatically without explicite given connectivity. Surfaces in any direction can be represented. Atoms can be selected in any size and color, with and without thermal ellipsoids.

The power of the system will be demonstrated by several pictures. You are invited to bring your own files to the booth and to test the system immediately. Further information can be obtained from WWW: http//www.rhrz.uni-bonn.de/~unc442/diamond.html