schrodinger.application.transforms.dockers.box module

class schrodinger.application.transforms.dockers.box.BoxSettings(OUTERBOX: ~typing.List[float] = <factory>, GRID_CENTER: ~typing.List[float] = <factory>, INNERBOX: ~typing.List[int] = <factory>)

Bases: object

Box settings for Glide docking, can be used directly as a dict for the gridgen config.

OUTERBOX: List[float]

GRID_CENTER: List[float]

INNERBOX: List[int]

__init__(OUTERBOX: ~typing.List[float] = <factory>, GRID_CENTER: ~typing.List[float] = <factory>, INNERBOX: ~typing.List[int] = <factory>) → None

schrodinger.application.transforms.dockers.box.get_outer_box_length(ligand_length: float)