The Silicon Graphics Teaching Laboratory provides a wide range of programs, including many that are specifically intended for the study of biological chemistry. This page outlines the programs which were written with biological applications in mind. A complete list of the programs licensed in the laboratory is also available.

A few of the facilities available are illustrated in the following thumbnail pictures, all of which were created using programs in the laboratory. Click on any of the small pictures to see a larger version and a brief explanation. The pictures illustrate methods of investigating peptides, drug-design, explicit and implicit solvent models, and molecular dynamics studies of oligosaccharides.

Eadfrith	MacroModel	Cerius
Sybyl/Grid	Molscript	Xed/Cosmic
Oligosaccharides Continuum Solvent	Oligosaccharides Dynamics	Ligand Binding Explicit Solvent

Programs Available

Molecular Modelling Programs

• These programs are able to do almost any sort of biological chemistry modelling. Insight is the only major program which is not available at the moment. However, MSI intend to merge Insight with Cerius2 as soon as possible.
• MacroModel 5.5
• Sybyl
• Cerius2
• Xed/Cosmic

Databases

• Brookhaven Protein Database
  Various different ways of searching this are available
• Cambridge Crystallographic Database
  including structures solved in Cambridge, but as yet unpublished
• Daresbury Databases ( REACCS; ACD; SpecInfo, etc )
• Chemistry Journals
• Chemistry Departments Worldwide

Drug Design

• Dock A program to design receptors for enzyme active sites
• GASP Genetic Algorithms to align molecules and so aid in the identification of a pharmacophore (consult Jack Bikker, jab44@cam.ac.uk, http://mrical.ch.cam.ac.uk:8090/)
• Grid: Determines energetically favourable binding sites for ligands
  (Documentation is only available from SGTL)
• Delphi A program to calculate, display and analyse electrostatic potentials of macromolecules

Molecular Graphics

• Mage A program to display 'kinemages'
• Molscript
  (Documentation is only available from SGTL)
• Eadfrith

Miscellaneous

• ANSIG Interpretation of NMR spectra
  (Documentation is only available from SGTL)
• Babel A program to convert between different molecular modelling file formats.