Inherits QDialog.

Public Member Functions
def	__init__ (self, ent_one, ent_two, parent=None)

Data Fields
	rmsd_superposed_atoms

	rmsd

	fraction_superposed

	superposition_error

	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 83 of file superpositiondialog.py.

Constructor & Destructor Documentation

◆ init()

def __init__	(	self,
		ent_one,
		ent_two,
		parent = `None`
	)

Definition at line 120 of file superpositiondialog.py.

Field Documentation

◆ cstmbtntxt

cstmbtntxt

Definition at line 252 of file superpositiondialog.py.

◆ ent_one

ent_one

Definition at line 141 of file superpositiondialog.py.

◆ ent_two

ent_two

Definition at line 155 of file superpositiondialog.py.

◆ fraction_superposed

fraction_superposed

Definition at line 124 of file superpositiondialog.py.

◆ gfx_one

gfx_one

Definition at line 130 of file superpositiondialog.py.

◆ gfx_select_one

gfx_select_one

Definition at line 132 of file superpositiondialog.py.

◆ gfx_select_two

gfx_select_two

Definition at line 133 of file superpositiondialog.py.

◆ gfx_two

gfx_two

Definition at line 131 of file superpositiondialog.py.

◆ reference

reference

Definition at line 169 of file superpositiondialog.py.

◆ rmsd

rmsd

Definition at line 123 of file superpositiondialog.py.

◆ rmsd_superposed_atoms

rmsd_superposed_atoms

Definition at line 122 of file superpositiondialog.py.

◆ superposition_error

superposition_error

Definition at line 125 of file superpositiondialog.py.

The documentation for this class was generated from the following file:

build-dev-doc/stage/lib64/python3.9/site-packages/ost/gui/dng/superpositiondialog.py

Public Member Functions

Data Fields