pyscivr.coordinates package

Submodules

• pyscivr.coordinates.core module
  • get_bond()
  • get_bond_angle()
  • get_dihedral_angle()
  • get_polar_angle()
  • get_azimuthal_angle()
  • quat_to_rotmat()
  • get_rotation_matrix()
  • get_euler_angles()
  • Coordinate
    • Coordinate.kind
    • Coordinate.atom_indices
    • Coordinate.value_ref
    • Coordinate.name
    • Coordinate.topology
  • InternalCoordinates
    • InternalCoordinates.add_local()
    • InternalCoordinates.add_bond()
    • InternalCoordinates.add_angle()
    • InternalCoordinates.add_dihedral()
    • InternalCoordinates.add_polar()
    • InternalCoordinates.add_azimuthal()
    • InternalCoordinates.add_translation()
    • InternalCoordinates.add_rotation()
    • InternalCoordinates.add_eckart()
    • InternalCoordinates.add_euler()
    • InternalCoordinates.add_normal_mode()
    • InternalCoordinates.build()
    • InternalCoordinates.find_coordinate()
    • InternalCoordinates.register_kind()
  • QuaternionCoordinates
    • QuaternionCoordinates.build()
  • make_converters()
  • quaternion_metric()
• pyscivr.coordinates.scan module
  • rigid_scan_1d()

Module contents

Coordinate systems for molecular dynamics.