theseus_align

superimpose macromolecules using maximum likelihood

Install

All systems
curl cmd.cat/theseus_align.sh
Debian Debian
apt-get install theseus
Ubuntu
apt-get install theseus
image/svg+xml Kali Linux
apt-get install theseus
Windows (WSL2)
sudo apt-get update sudo apt-get install theseus
Raspbian
apt-get install theseus
Dockerfile
dockerfile.run/theseus_align

theseus

superimpose macromolecules using maximum likelihood

Theseus is a program that simultaneously superimposes multiple macromolecular structures. Theseus finds the optimal solution to the superposition problem using the method of maximum likelihood. By down-weighting variable regions of the superposition and by correcting for correlations among atoms, the ML superposition method produces very accurate structural alignments. When macromolecules with different residue sequences are superimposed, other programs and algorithms discard residues that are aligned with gaps. Theseus, however, uses a novel superimposition algorithm that includes all of the data.