cctbx.adp_restraints.energies module

class cctbx.adp_restraints.energies.energies(u_cart, u_iso=None, use_u_aniso=None, sites_cart=None, adp_similarity_proxies=None, rigid_bond_proxies=None, isotropic_adp_proxies=None, compute_gradients=True, gradients_aniso_cart=None, gradients_iso=None, disable_asu_cache=False, normalization=False)

Bases: object

adp_similarity_deviation()

finalize_target_and_gradients()

isotropic_adp_deviation()

rigid_bond_deviation()

show(f=None, prefix='')