This document is for OpenStructure version 2.3.1, the latest version is 2.7 !

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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Contents

Documentation is available for the following OpenStructure versions:

dev / 2.7 / 2.6 / 2.5 / 2.4 / (Currently viewing 2.3.1) / 2.3 / 2.2 / 2.1 / 2.0 / 1.9 / 1.8 / 1.7.1 / 1.7 / 1.6 / 1.5 / 1.4 / 1.3 / 1.2 / 1.11 / 1.10 / 1.1

This documentation is still under heavy development!
If something is missing or if you need the C++ API description in doxygen style, check our old documentation for further information.