Molecular Graphics

The Centre has very extensive computing facilities, including clusters of high performance graphics workstations. There are over thirty Silicon Graphics workstations across the Centre, as well as a number of Compaq Alpha stations and high-end PCs. These support research across the full spectrum of Centre activities, from structure determination of biological macromolecules using NMR, crystallography and electron microscopy to bioinformatics. Computer aided drug design is the speciality of the Institute for Computer Applications in Molecular Sciences (ICAMS). Computer graphics has now evolved from a specialized technique, where pioneering work was carried out in Leeds in the seventies, to a routine research tool. A vast range of graphics software is now available and installed across the workstation clusters.

Prospective users should initially contact Don Akrigg for facilities in biological sciences and David Waller for applications in drug design and medicinal chemistry.