OVERVIEW

THESEUS is a parallel framework for structure prediction using the threading approach.

The program package was used in production during the CASP6 and CASP7 experiment.
Below is an example of a structure prediction with THESEUS which was ranked as the 6th best predicted model out of 300 predictions made by groups and servers.

(click on image to enlarge)

STATUS

The THESEUS package is a research code, and is written in C++ and parallized through MPI. It scales nearly linearly even on low-cost compute clusters with an high-latency Ethernet interconnect.

(click on image to enlarge)


PEOPLE

THESEUS was designed and implemented in the CSR group at ZIB within the BCB project by

with contributions from various students from 2002-2005.

PUBLICATIONS

  1. P. May and T. Steinke. THESEUS - Protein Structure Prediction at ZIB. ZIB Report, 06-24, 2006. (get report)
  2. P. May and T. Steinke. An Automated Pipeline For Structure Prediction. In: CASP7 Methods Abstracts, 7th Meeting on the Critical Assessment of Techniques for Protein Structure Prediction, 135.136, Pacific Grove, CA, USA, 2006.
  3. P. May, H.C. Ehrlich, and T. Steinke. ZIB Structure Prediction Pipeline: Composing a Complex Biological Workflow through Web Services. In: Euro-Par 2006 Parallel Processing, LNCS 4128, 1148-1158, Springer Verlag, 2006.
  4. E. Michalsky, A. Goede, R. Preissner, P. May, and T. Steinke. A distributed pipeline for structure prediction. In: CASP6 Methods Abstract, 6th meeting on the Critical Assessment of Techniques for Protein Structure Prediction, 112-114, Gaeta, Italy, 2004.

CONTACT

If you are interested please contact Thomas Steinke at "steinke [at] zib [dot] de".