Theseus is 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.
When superpositioning macromolecules with different residue sequences, other programs and algorithms discard residues that are aligned with gaps. Theseus, however, uses a novel maximum likelihood superposition algorithm that includes all of the data.
Douglas Theobald <firstname.lastname@example.org>
:: MORE INFORMATION
Theobald, Douglas L. & Wuttke, Deborah S. (2006b)
THESEUS: Maximum likelihood superpositioning and analysis of macromolecular structures.