schrodinger.adapter module

schrodinger::adapter C++ wrappers

class schrodinger.adapter.LabelAtoms

Bases: object

Enable = True

Disable = False

class schrodinger.adapter.Hydrogens

Bases: object

Retain = False

MakeImplicit = True

class schrodinger.adapter.StereoChemistry

Bases: object

Copy = True

Ignore = False

class schrodinger.adapter.Properties

Bases: object

Copy = True

Ignore = False

class schrodinger.adapter.Coordinates

Bases: object

Copy = True

Ignore = False

class schrodinger.adapter.Sanitize

Bases: object

Enable = True

Disable = False

class schrodinger.adapter.Canonicalize

Bases: object

Enable = True

Disable = False

class schrodinger.adapter.UniqueFilter

Bases: object

Enable = True

Disable = False

class schrodinger.adapter.Generate2DCoordinates

Bases: object

Enable = True

Disable = False

exception schrodinger.adapter.InconsistentStructureError

Bases: ValueError

The input structure for conversion is not internally consistent

__init__(*args, **kwargs)

Initialize self. See help(type(self)) for accurate signature.

args

with_traceback()

Exception.with_traceback(tb) – set self.__traceback__ to tb and return self.

exception schrodinger.adapter.UnsupportedStructureError

Bases: NotImplementedError

For structures that can’t be translated between RDKit and Schrodinger yet

__init__(*args, **kwargs)

Initialize self. See help(type(self)) for accurate signature.

args

with_traceback()

Exception.with_traceback(tb) – set self.__traceback__ to tb and return self.