Data Item _atom_site.refinement_flags

General

Item name
_atom_site.refinement_flags
Category name
atom_site
Attribute name
refinement_flags
Required in PDB entries
no
Used in currrent PDB entries
No

Item Description

A concatenated series of single-letter codes which indicate the refinement restraints or constraints applied to this site. This item should not be used. It has been replaced by _atom_site.refinement_flags_posn, *_adp and *_occupancy. It is retained in this dictionary only to provide compatibility with old CIFs.

Data Type

Data type code
code
Data type detail
code item types/single words ...
Primitive data type code
char
Regular expression
[_,.;:"&<>()/\{}'`~!@#$%A-Za-z0-9*|+-]*

Controlled Vocabulary

Allowed Value Details
D distance or angle restraint on site
G rigid-group refinement of site
P partial occupancy constraint
R riding-atom site attached to non-riding atom
S special-position constraint on site
T thermal displacement constraints
U Uiso or Uij restraint (rigid bond)

Controlled Vocabulary at Deposition

Allowed Value Details
D distance or angle restraint on site
G rigid-group refinement of site
P partial occupancy constraint
R riding-atom site attached to non-riding atom
S special-position constraint on site
T thermal displacement constraints
U Uiso or Uij restraint (rigid bond)

Aliases

Alias Item Name Dictionary Name Dictionary Version
_atom_site_refinement_flags cif_core.dic 2.3