schrodinger.infra.growthspace module

class schrodinger.infra.growthspace.GrowthSpaceGenerator

class schrodinger.infra.growthspace.GrowthSpaceGenerator(a0: GrowthSpaceGenerator) → None

Bases: PyQt6.sip.wrapper

__init__(*args, **kwargs)

createAllGrowthSpaces(self, ct: int, receptor_bs: int, ligand_bs: int) → Tuple[object, object]

getExpandedRadius(self) → float

getGridSize(self) → float

getMaxRadius(self) → float

getMinRadius(self) → float

setExpandedRadius(self, expanded_radius: float = 1)

setGridSize(self, grid_size: float = 0.25)

setMaxRadius(self, max_radius: float = 6)

setMinRadius(self, min_radius: float = 0.5)