Index

Core dictionary version 3.0.14

_geom_bond.distance

Definition:

   
     Intramolecular bond distance between the sites identified
     by _geom_bond.id

Type: Real

Units: angstroms

Evaluation method:

     With b as geom_bond
 
     xc = List()
 
     For [label,symop] in  [[b.atom_site_label_1,b.site_symmetry_1],
                            [b.atom_site_label_2,b.site_symmetry_2]]   {
 
         xf   =   SymEquiv(symop, _atom_site[label].fract_xyz)
 
         xc ++=  _atom_sites_Cartn_transform.matrix * xf
      }
      _geom_bond.distance =  Norm ( xc[0] - xc[1] )

Category:
geom_bond