Theseus

• a program that simultaneously superimposes multiple macromolecular structures. Instead of using the conventional least-squares criteria, Theseus finds the optimal solution to the superposition problem using the method of maximum likelihood. By downweighting variable regions of the superposition and by correcting for correlations among atoms, the ML superpositioning method produces much more accurate results.

Developers

Douglas Theobald

Categories

Structure Analysis

Versions

• Linux 32: 1.6.2
• Linux 64: 1.6.2
• OSX Intel: 1.6.2
• OSX PPC: 1.4.3

Citations

Theobald & Wuttke. Empirical Bayes hierarchical models for regularizing maximum likelihood estimation in the matrix Gaussian Procrustes problem. PNAS. 2006a. 103(49):18521-18527. Theobald et al. THESEUS: Maximum likelihood superpositioning and analysis of macromolecular structures. Bioinformatics. 2006b. 22(17):2171-2172. Theobald et al. Accurate structural correlations from maximum likelihood superpositions. PLOS Computational Biology. 2008. 4(2):e43.

Technical Notes

Member labs have permission to access Theseus.

License Type

This software is distributed under a Non-Profit license.