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Macromolecular dictionary (mmCIF) version 2.0.09

_atom_site.calc_flag

Name:
'_atom_site.calc_flag'

Definition:

   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'.

Type: ucode

Mandatory item: no

Alias:
_atom_site_calc_flag (cif_core.dic version 2.0.1)
The data value must be one of the following:


d
determined from experimental measurements

calc
calculated from molecular geometry

c
abbreviation for "calc"

dum
dummy site with meaningless coordinates

Category: atom_site