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Computational tools from the Woolfson group, University of Bristol.

Welcome!

This site contains links to all the computational tools made by the Woolfson Group at the University of Bristol, UK.

ISAMBARD

ISAMBARD (Intelligent System for Analysis, Model Building And Rational Design), is a Python-based framework for structural analysis and rational design of biomolecules, with a particular focus on parametric modelling of proteins.

Documentation available here.

Relevant References

Christopher W. Wood, Jack W. Heal, Andrew R. Thomson, Gail J. Bartlett, Amaurys A. Ibarra, R. Leo Brady, Richard B. Sessions, Derek N. Woolfson; ISAMBARD: an open-source computational environment for biomolecular analysis, modelling and design. Bioinformatics 2017 btx352. doi: 10.1093/bioinformatics/btx352

Socket

The SOCKET program finds the Knobs-into-Holes mode of packing between alpha-helices (Crick, 1953) which is characteristic of coiled coils. It unambiguously defines the beginning and end of coiled-coil motifs in protein structures and assigns a heptad register to the sequence.

Logicoil

The LOGICOIL algorithm predicts the oligomeric state probabilities of a coiled-coil sequence. It curently allows to classify antiparallel dimers, parallel dimers, trimers and tetramers.