qFit 3

Protein and ligand multiconformer modeling for X-ray crystallographic and single-particle cryo-EM density maps. qFit is a collection of programs for modeling multi-conformer protein structures. Electron density maps obtained from high-resolution X-ray diffraction data are a spatial and temporal average of all conformations within the crystal. qFit evaluates an extremely large number of combinations of sidechain conformers, backbone fragments and small-molecule ligands to locally explain the electron density.