Esempi in Python per bond_angle_registry

Esempio n. 1

File: cdl_setup.py Progetto: cctbx/cctbx-playground

def setup_restraints(geometry, # restraints_manager
                     verbose=False,
                     ):
  ba_registry = bond_angle_registry()
  for angle in geometry.angle_proxies:
    ba_registry[angle.i_seqs]=angle
  return ba_registry

Esempio n. 2

def setup_restraints(geometry,
                     verbose=False,
                     ):
  ba_registry = bond_angle_registry()
  for angle in geometry.dihedral_proxies:
    ba_registry[angle.i_seqs]=angle
  return ba_registry

Esempio n. 3

File: omega.py Progetto: cctbx/cctbx-playground

def setup_restraints(geometry,
                     verbose=False,
                     ):
  ba_registry = bond_angle_registry()
  for angle in geometry.dihedral_proxies:
    ba_registry[angle.i_seqs]=angle
  return ba_registry

Esempio n. 4

def setup_restraints(
    geometry,  # restraints_manager
    verbose=False,
):
    ba_registry = bond_angle_registry()
    for angle in geometry.angle_proxies:
        ba_registry[angle.i_seqs] = angle
    return ba_registry