OERotamerLibraryΒΆ

This namespace contains constants for selecting sidechain rotamer libraries.

Dunbrack

Uses rotamers from a backbone-dependent rotamer library [Dunbrack-1997] obtained from a Bayesian statistical analysis of high-resolution crystal structures.

Richardson

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.

Default

Use the Richardson rotamer library.