Index

Restraints dictionary version 1.0

_restr_equal_angle_site_symmetry_

Definition:

   The site symmetries of the three atoms that define an angle
   restrained to be equal to other angles in the same class.

   The symmetry code of each atom site is given as the 
	       symmetry-equivalent position number 'n' and the cell 
	       translation number 'klm'. These numbers are combined 
	       to form the code n_klm. The character string n_klm is 
	       composed as follows:

   n refers to the symmetry operation that is applied to the
   coordinates stored in _atom_site_fract_x, _atom_site_fract_y
   and _atom_site_fract_z. It must match a number given in
   _space_group_symop_id (formerly _symmetry_equiv_pos_site_id).

   k, l and m refer to the translations that are subsequently
   applied to the symmetry-transformed coordinates to generate
   the atom used in calculating the angle. These translations
   (x,y,z) are related to (k,l,m) by the relations
        k = 5 + x
        l = 5 + y
        m = 5 + z
   By adding 5 to the translations, the use of negative numbers
   is avoided.

Appears in list containing _restr_equal_angle_atom_site_label_
Enumeration default: 1_555

Type: char

Category: restr_equal_angle