Core CIF Dictionary version 2.3

_atom_site_refinement_flags_posn

Name

Category: atom_site

Data type: char

Must appear in a looped list containing '_atom_site_label'

Permitted values:

. 'no constraints on positional coordinates'
D 'distance or angle restraint on positional coordinates'
G 'rigid group refinement of positional coordinates'
R 'riding-atom site attached to non-riding atom'
S 'special position constraint on positional coordinates'
DG 'combination of the above constraints'
DR 'combination of the above constraints'
DS 'combination of the above constraints'
GR 'combination of the above constraints'
GS 'combination of the above constraints'
RS 'combination of the above constraints'
DGR 'combination of the above constraints'
DGS 'combination of the above constraints'
DRS 'combination of the above constraints'
GRS 'combination of the above constraints'
DGRS 'combination of the above constraints'

Definition

    	

   A code which indicates the refinement restraints or constraints
   applied to the positional coordinates of this site.