Functions
def	AnalyzeHelixKink
def	CalculateHelixKink

Detailed Description

Functions to calculate helix kinks: bend, face shift and wobbla angles

Author: Niklaus Johner

Function Documentation

def ost.mol.alg.helix_kinks.AnalyzeHelixKink	(	t,
		sele,
		proline = `False`
	)

This function calculates the bend,wobble and face-shift angles
in an alpha-helix over a trajectory. The determination is more stable if
there are at least 4 residues on each side (8 is even better) of the prolin around which
the helix is kinked. The selection should contain all residues in the correct
order and with no gaps and no missing C-alphas.
Input:
  t     : The trajectory to be analyzed (CoordGroup)
  sele  : A selection containing the alpha helix to be analyzed (EntityView)
  proline=False : An EntityView containing only the proline (or another residue) around which the
                  helix is kinked. If False, the proline will be serached for automatically
Output:
  (bend_angle,face_shift,wobble_angle) : a tuple of FloatLists

Definition at line 76 of file helix_kinks.py.

def ost.mol.alg.helix_kinks.CalculateHelixKink	(	sele,
		proline = `False`
	)

This function calculates the bend,wobble and face-shift angles
in an alpha-helix of an EntityView. The determination is more stable if
there are at least 4 residues on each side (8 is even better) of the prolin around which
the helix is kinked. The selection should contain all residues in the correct
order and with no gaps and no missing C-alphas.
Input:
  sele  : A selection containing the alpha helix to be analyzed (EntityView)
  proline=False : An EntityView containing only the proline (or another residue) around which the
                  helix is kinked. If False, the proline will be serached for automatically
Output:
  (bend_angle,face_shift,wobble_angle) : a tuple of Floats

Definition at line 117 of file helix_kinks.py.