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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This HTML dictionary was created using the
CIFLIB C Language Application Program Interface
at the
Nucleic Acid Database Project
Rutgers University, Department of Chemistry
New Brunswick, New Jersey
ndbadmin@ndbserver.rutgers.edu