Dialogs¶
OpenStructure provides several Dialogs
which can be called from its
many menus in the top bar.
Scene Menu¶
Superpose¶
Structurally superpose two entities.
The
Superpose
entry in theScene
menu is only accessible if two instances of the graphicalEntity
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 attributermsd
. An index for the selected reference molecule will be stored in attributereference
.
- Parameters:
ent_one (
EntityView
,EntityHandle
orEntity
) – The first entityent_two (
EntityView
,EntityHandle
orEntity
) – The second entityExample 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)