schrodinger.adapter module

schrodinger::adapter C++ wrappers

class schrodinger.adapter.LabelAtoms

Bases: object

Enable = True
Disable = False
class schrodinger.adapter.Hydrogens

Bases: object

AS_INPUT = 0
IMPLICIT = 1
EXPLICIT = 2
class schrodinger.adapter.StereoChemistry

Bases: object

Copy = True
Ignore = False
class schrodinger.adapter.Properties

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)
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)
args
with_traceback()

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