Core dictionary version 3.0.14
_geom_hbond.distance_DA
Name:_geom_hbond.distance_DA
Aliases:
_geom_hbond_distance_DA
_geom_hbond.dist_DA
Definition:
The set of data items which specify the distance between the three atom sites identified by _geom_hbond.id.
Type: Real
Units: angstroms
The permitted range is 0.0 → infinity
Evaluation method:
with g as geom_hbond l,s = g.atom_site_label_D, g.site_symmetry_D d_pos = SymEquiv(s, _atom_site[l].fract_xyz) d_pos = _atom_sites_Cartn_transform.matrix * d_pos l,s = g.atom_site_label_A,g.site_symmetry_A a_pos = SymEquiv(s, _atom_site[l].fract_xyz) a_pos = _atom_sites_Cartn_transform.matrix * a_pos _geom_hbond.distance_DA = Norm ( a_pos - d_pos )
Category:
geom_hbond