This namespace contains constants for selecting sidechain rotamer libraries.
The default rotamer library type is OERotamerLibrary::Richardson_2016.
Uses rotamers from a backbone-dependent rotamer library [Dunbrack-1997] obtained from a Bayesian statistical analysis of high-resolution crystal structures.
Use rotamers from the “penultimate rotamer library” [Lovell-2000] obtained from high-resolution crystal structures, filtered to remove clashes and residues with high-temperature factors.
Use rotamers from the “ultimate rotamer library” [Hintze-2016] obtained using a diverse high quality crystal structure dataset with associated structure factors. The structures were filtered more stringently than the original Richardson [Lovell-2000] and quality measures were performed on a per residue basis.