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 |
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.
def __init__ | ( | self, | ||
ent_one, | ||||
ent_two, | ||||
parent = None | ||||
) |
Definition at line 122 of file superpositiondialog.py.
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Definition at line 124 of file superpositiondialog.py.