Index

Macromolecular dictionary (mmCIF) version 2.0.09

_atom_site.id

Name:
'_atom_site.id'

Definition:

   The value of _atom_site.id must uniquely identify a record in the
   ATOM_SITE list.

   Note that this item need not be a number; it can be any unique
   identifier.

   This data item was introduced to provide compatibility between
   small-molecule and macromolecular CIFs. In a small-molecule
   CIF, _atom_site_label is the identifier for the atom. In a
   macromolecular CIF, the atom identifier is the aggregate of
   _atom_site.label_alt_id, _atom_site.label_asym_id,
   _atom_site.label_atom_id, _atom_site.label_comp_id and
   _atom_site.label_seq_id. For the two types of files to be
   compatible, a formal identifier for the category had to be
   introduced that was independent of the different modes of
   identifying the atoms. For compatibility with older CIFs,
   _atom_site_label is aliased to _atom_site.id.

Examples:

5

C12

Ca3g28

Fe3+17

H*251

boron2a

C_a_phe_83_a_0

Zn_Zn_301_A_0

Type: code

Mandatory item: yes

Alias:
_atom_site_label (cif_core.dic version 2.0.1) _atom_site_anisotrop.id
_geom_angle.atom_site_id_1
_geom_angle.atom_site_id_2
_geom_angle.atom_site_id_3
_geom_bond.atom_site_id_1
_geom_bond.atom_site_id_2
_geom_contact.atom_site_id_1
_geom_contact.atom_site_id_2
_geom_hbond.atom_site_id_A
_geom_hbond.atom_site_id_D
_geom_hbond.atom_site_id_H
_geom_torsion.atom_site_id_1
_geom_torsion.atom_site_id_2
_geom_torsion.atom_site_id_3
_geom_torsion.atom_site_id_4

Category: atom_site