class pdb.BackboneHB

Available on all platforms

Container for hydrogen bond energy between two residues. This only consider hydrogen bonds between backbone N-H and C=O.

Instance Fields

var E01:WMHydrogenBond

hydrogen bond energy for res0(N) - res1(O)

var E10:WMHydrogenBond

hydrogen bond energy for res1(N) - res0(O)

function new(r0:PdbResidue, r1:PdbResidue):Void

Constructor. If two residues are given, backbone hydrogen bond energy is calculated. See also calc function.

function bonded(threshold:Float):Bool

return whether there is a hydrogen bond or not

function calc(r0:PdbResidue, r1:PdbResidue):Void

calculate backbone hydrogen bond between two residues. Note that this function does not return hydrogen bond energy. Use getEne function if you need hydrogen bond energy or bonded function if you want to know whether hydrogen bond exists between residues.

function getEne():Float

return hydrogen bond energy in this definition