SuperpositionDialog Class Reference

Public Member Functions
def	__init__
Data Fields
	rmsd_superposed_atoms
	rmsd
	fraction_superposed
	gfx_one
	gfx_two
	gfx_select_one
	gfx_select_two
	ent_one
	ent_two
	reference
	cstmbtntxt

Detailed Description

Provides a graphical user interface to structurally superpose two entities.
Uses function :func:`~ost.mol.alg.Superpose`. The RMSD of two superposed
molecules will be stored in attribute ``rmsd``. An index for the selected
reference molecule will be stored in attribute ``reference``.

:param ent_one: The first entity
:type ent_one: :class:`~ost.mol.EntityView`, :class:`~ost.mol.EntityHandle`
               or :class:`~ost.gfx.Entity`
:param ent_two: The second entity
:type ent_two: :class:`~ost.mol.EntityView`, :class:`~ost.mol.EntityHandle`
               or :class:`~ost.gfx.Entity`

**Example Usage:**

.. code-block:: python

  e1=io.LoadPDB('examples/code_fragments/entity/pdb1ake.ent')
  e2=io.LoadPDB('examples/code_fragments/entity/pdb4ake.ent')

  sd = ost.gui.dng.superpositiondialog.SuperpositionDialog(e1, e2)

  g1=gfx.Entity('G1', e1)
  g2=gfx.Entity('G2', e2)
  scene.Add(g1)
  scene.Add(g2)

  if sd.reference == 0:
    scene.CenterOn(g1)
  else:
    scene.CenterOn(g2)

  if sd.rmsd != None:
    LogScript('RMSD: %.3f'%sd.rmsd)

Definition at line 85 of file superpositiondialog.py.