View Directionality Vector Dialog Box

Directionality Vector Dialog Box

Directionality Vectors:: option menu: {None (Spherical)|Bond Axes (Geometric)|Hybridized Pi/Lone Pairs}; The Directionality Vectors parameter(s) provide a mechanism to more specifically direct hydropathy along either Bond Axis or Lone Pair vectors. This is especially important for polar/H-Bond interactions where directionality of interactions is expected to be important. Hydrophobic interactions are less likely to be directional.; Bond Axes (Geometric) directs the hydropathy along the axis of the bond (or average of bonds) to the selected atom.; Hybridized Pi/Lone Pairs directs the hydropathy along vectors coinciding with the placement of lone pairs and pi orbitals on the selected atom. The magnitude of these vectors are weighted for the occupancy (electrons) of the lone pair or pi orbital.
Vector Focus:: field; The Vector Focus parameter allows control over the focus of the directionality vectors, larger Vector Focus parameters cause a tighter focus of the probability function controlling interactions.