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Item _atom_site.calc_flag


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Description


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

Category

atom_site

Mandatory Code

no

Data Type Code

ucode

Default Value

d

Enumeration Values

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

Alias Names

Alias Name Dictionary Version
_atom_site_calc_flag cif_core.dic 2.0.1

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Resource Collaboratory for Structural Bioinformatics
Rutgers University, Department of Chemistry
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