class pdb.WMHydrogenBond
Available on all platforms
var E:Float
arbitrary hydrogen bond energy
var Ep:Float
energy component: in-plane angle part
var Er:Float
energy component: distance part
var Et:Float
energy component: out-of-plane angle part
function new():Void
Constructor.
function calcE():Void
calculate hydrogen bond energy from pre-determined Er, Ep, and Et`.
Er,
, and
function calcEp(vho:Point3D, vnh:Point3D, dho:Float, dnh:Float):Float
calculate in-plane angle part of HB energy for X-H-Y.
function calcEr(dno:Float):Float
calculate distance part energy, where dno is the length parameter
dno
function calcEt(posH:Point3D, posO:Point3D, posC:Point3D, posCA:Point3D):Float
calculate out-of-plane angle part of hydrogen bond energy
function get_E():Float
getter of E
E
function get_Ep():Float
getter of Ep
Ep
function get_Er():Float
getter of Er
Er
function get_Et():Float
getter of Et
Et
function set_E(e:Float):Float
setter of E
function set_Ep(e:Float):Float
setter of Ep
function set_Er(e:Float):Float
setter of Er
function set_Et(e:Float):Float
setter of Et