Data Item _atom_site.calc_flag

General

Item name
_atom_site.calc_flag
Category name
atom_site
Attribute name
calc_flag
Required in PDB entries
no
Used in current PDB entries
Yes, in about 0.001 % of entries

Item Description

A standard code to signal whether the site coordinates have been determined from the intensities or calculated from the geometry of surrounding sites, or have been assigned dummy values. The abbreviation 'c' may be used in place of 'calc'.

Data Type

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

Controlled Vocabulary

Allowed Value Details
c abbreviation for "calc"
calc calculated from molecular geometry
d determined from experimental measurements
dum dummy site with meaningless coordinates

Controlled Vocabulary at Deposition

Allowed Value Details
c abbreviation for "calc"
calc calculated from molecular geometry
d determined from experimental measurements
dum dummy site with meaningless coordinates

Aliases

Alias Item Name Dictionary Name Dictionary Version
_atom_site_calc_flag cif_core.dic 2.0.1