Oxford University, Structural Bioinformatics & Computational Biochemistry Unit
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Computational Hardware

We are well provided both with 'number-crunching' resources and with high-resolution graphics workstations for visualization and analysis work.

The workstations and servers, together with a dedicated RAID fileserver, provide a large amount of NFS-served disk space.

In addition, we have ample access to resources from the Oxford Supercomputing Centre, Oswald and Oswell.

Primary molecular simulation software

Most of our work is done using the packages GROMACS. We also use CHARMM and X-plor.

Other scientific software

Continuum electrostatics calculations: UHBD, DelPhi

Bioinformatics: BLAST, MODELLER, MEMSAT, PERSCAN, etc.

Protein visualization and analysis: Quanta, Rasmol, WhatIf, Grasp, Procheck, and Molscript

Quantum mechanical ab-initio calculations: Gaussian98

Last updated 7/12/05