schrodinger.rdkit_adapter module¶
schrodinger::rdkit_adapter C++ wrappers
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class
schrodinger.rdkit_adapter.LabelAtoms¶ Bases:
object-
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.rdkit_adapter.Hydrogens¶ Bases:
object-
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.rdkit_adapter.ImplicitHydrogens¶ Bases:
object-
Ignore= False¶
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MakeExplicit= True¶
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__init__¶ Initialize self. See help(type(self)) for accurate signature.
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class
schrodinger.rdkit_adapter.StereoChemistry¶ Bases:
object-
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.rdkit_adapter.Properties¶ Bases:
object-
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.rdkit_adapter.Coordinates¶ Bases:
object-
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.rdkit_adapter.Sanitize¶ Bases:
object-
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.rdkit_adapter.Canonicalize¶ Bases:
object-
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.rdkit_adapter.InconsistentStructureError¶ Bases:
ValueErrorThe 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.rdkit_adapter.UnsupportedStructureError¶ Bases:
NotImplementedErrorFor 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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