rdkit.Chem.Subshape.SubshapeBuilder module — The RDKit 2025.09.6 documentation

# rdkit.Chem.Subshape.SubshapeBuilder module

class rdkit.Chem.Subshape.SubshapeBuilder.SubshapeBuilder

  Bases: `object`

  CombineSubshapes(subshape1, subshape2, operation=0)
  GenerateSubshapeShape(cmpd, confId=-1, addSkeleton=True, **kwargs)
  GenerateSubshapeSkeleton(shape, conf=None, terminalPtsOnly=False, skelFromConf=True)
  SampleSubshape(subshape1, newSpacing)
  featFactory = None
  fraction = 0.25
  gridDims = (20, 15, 10)
  gridSpacing = 0.5
  nbrCount = 7
  stepSize = 1.0
  terminalPtRadScale = 0.75
  winRad = 3.0

class rdkit.Chem.Subshape.SubshapeBuilder.SubshapeCombineOperations

  Bases: `object`

  INTERSECT = 2
  SUM = 1
  UNION = 0