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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__init__
¶ Initialize self. See help(type(self)) for accurate signature.
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class
schrodinger.adapter.
Hydrogens
¶ Bases:
object
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Retain
= False¶
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MakeImplicit
= True¶
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__init__
¶ Initialize self. See help(type(self)) for accurate signature.
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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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__init__
¶ Initialize self. See help(type(self)) for accurate signature.
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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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__init__
¶ Initialize self. See help(type(self)) for accurate signature.
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class
schrodinger.adapter.
Coordinates
¶ Bases:
object
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Copy
= True¶
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Ignore
= False¶
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__init__
¶ Initialize self. See help(type(self)) for accurate signature.
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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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__init__
¶ Initialize self. See help(type(self)) for accurate signature.
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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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__init__
¶ Initialize self. See help(type(self)) for accurate signature.
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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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__init__
¶ Initialize self. See help(type(self)) for accurate signature.
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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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__init__
¶ Initialize self. See help(type(self)) for accurate signature.
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exception
schrodinger.adapter.
InconsistentStructureError
¶ Bases:
ValueError
The input structure for conversion is not internally consistent
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__init__
¶ Initialize self. See help(type(self)) for accurate signature.
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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__
¶ Initialize self. See help(type(self)) for accurate signature.
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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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