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International
Tables for Crystallography Volume G Definition and exchange of crystallographic data Edited by J. R. Hester and B. McMahon © International Union of Crystallography 2026 |
International Tables for Crystallography (2026). Vol. G. Early view chapter
https://doi.org/10.1107/97809553602060001011 Chapter 4.2 Core dictionary (coreCIF) |
Core dictionary version 3.3.0
Category GEOM_HBOND
Name:'GEOM_HBOND'
Parent category:
GEOM
Definition:
Data items in the GEOM_HBOND category specify the hydrogen bond
distances and angles in the structural model as derived from atomic sites.
Category is of type Loop
Category keys:_geom_hbond.atom_site_label_D
_geom_hbond.atom_site_label_H
_geom_hbond.atom_site_label_A
_geom_hbond.site_symmetry_D
_geom_hbond.site_symmetry_H
_geom_hbond.site_symmetry_A
This category contains the following items
- _geom_hbond.angle_DHA
- _geom_hbond.angle_DHA_su
- _geom_hbond.atom_site_label_A
- _geom_hbond.atom_site_label_D
- _geom_hbond.atom_site_label_H
- _geom_hbond.distance_DA
- _geom_hbond.distance_DA_su
- _geom_hbond.distance_DH
- _geom_hbond.distance_DH_su
- _geom_hbond.distance_HA
- _geom_hbond.distance_HA_su
- _geom_hbond.id
- _geom_hbond.publ_flag
- _geom_hbond.site_symmetry_A
- _geom_hbond.site_symmetry_D
- _geom_hbond.site_symmetry_H
