Index

Core dictionary version 3.0.14

_geom_hbond.distance_HA

Definition:

   
     The set of data items which specify the distance between the
     three atom sites identified by _geom_hbond.id.

Type: Real

Units: angstroms

Evaluation method:

         with g as geom_hbond
         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
         l,s  =   g.atom_site_label_H,g.site_symmetry_H
         h_pos   =   SymEquiv(s, _atom_site[l].fract_xyz)
         h_pos   = _atom_sites_Cartn_transform.matrix * h_pos
         _geom_hbond.distance_HA =  Norm ( h_pos - a_pos )

Category:
geom_hbond