You are reading the documentation for version 1.9 of OpenStructure. You may also want to read the documentation for: 1.1 1.2 1.3 1.4 1.5 1.6 1.7 1.7.1 1.8 devel

Dialogs

OpenStructure provides several Dialogs which can be called from its many menus in the top bar.

../../_images/100208_Dialogs.png

Scene Menu

Superpose

Structurally superpose two entities.

../../_images/100624_superpose_dialog.png

The Superpose entry in the Scene menu is only accessible if two instances of the graphical Entity are selected.

class SuperpositionDialog(ent_one, ent_two, parent=None)

Provides a graphical user interface to structurally superpose two entities. Uses function 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.

Parameters:

Example Usage:

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)

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