schrodinger.adapter module
schrodinger::adapter C++ wrappers
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class schrodinger.adapter.LabelAtoms
Bases: object
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Enable = True
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Disable = False
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class schrodinger.adapter.Hydrogens
Bases: object
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AS_INPUT = 0
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IMPLICIT = 1
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EXPLICIT = 2
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class schrodinger.adapter.StereoChemistry
Bases: object
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Copy = True
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Ignore = False
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class schrodinger.adapter.Properties
Bases: object
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Copy = True
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Ignore = False
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class schrodinger.adapter.Sanitize
Bases: object
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Enable = True
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Disable = False
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class schrodinger.adapter.Canonicalize
Bases: object
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Enable = True
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Disable = False
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class schrodinger.adapter.UniqueFilter
Bases: object
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Enable = True
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Disable = False
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class schrodinger.adapter.Generate2DCoordinates
Bases: object
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Enable = True
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Disable = False
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exception schrodinger.adapter.InconsistentStructureError
Bases: ValueError
The input structure for conversion is not internally consistent
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__init__(*args, **kwargs)
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args
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with_traceback()
Exception.with_traceback(tb) –
set self.__traceback__ to tb and return self.
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exception schrodinger.adapter.UnsupportedStructureError
Bases: NotImplementedError
For structures that can’t be translated between RDKit and Schrodinger yet
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__init__(*args, **kwargs)
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args
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with_traceback()
Exception.with_traceback(tb) –
set self.__traceback__ to tb and return self.