Crystallography

Provides a unique mixture of sessions on training, education, and applications and papers containing details about state-of-the-art techniques and future developments in X-ray analysis.

Information about the activities of its groups, conference information, index and introduction to its newsletter, and related links.

A site introducing the properties of crystals with a cubic unit cell.

Information on method research; PDF files of invited lectures and publications; Free downloads of structure-solving software.

The department is focussed on crystallography with main research lines in protein and chemical crystallography. Personnel, publications, distributed software, map and other information of the campus.

The software package for single crystal X-ray structure refinement and analysis consists of CRYSTALS, Cameron and specially recompiled versions of SIR92 and SHELXS.

A program designed for the solution of crystal structures from powder diffraction data. Its concept implies a combined global optimization of the difference between the calculated and measured diffraction pattern and of the potential energy of the system.

A program for converting between different X-ray powder diffraction file formats. Windows platform.

Software packages designed to match and analyse powder diffraction patterns utilising their full profiles; dSNAP is a new software package to help users automatically classify and visualise the results of database searches using the CSD.

Display molecules and molecular surfaces, optionally representing a field (for example electrostatic) as local colors. Silicon Graphics (IRIX) platform.