rdkit.Chem.Pharm3D.Pharmacophore module — The RDKit 2025.09.6 documentation

# rdkit.Chem.Pharm3D.Pharmacophore module

class rdkit.Chem.Pharm3D.Pharmacophore.ExplicitPharmacophore(feats=None, radii=None)

  Bases: `object`

  this is a pharmacophore with explicit point locations and radii

  getFeature(i)
  getFeatures()
  getRadii()
  getRadius(i)
  initFromFile(inF)
  initFromLines(lines)
  initFromString(text)
  setRadius(i, rad)

class rdkit.Chem.Pharm3D.Pharmacophore.Pharmacophore(feats, initMats=True)

  Bases: `object`

  getFeature(i)
  getFeatures()
  getLowerBound(i, j)
  getLowerBound2D(i, j)
  getUpperBound(i, j)
  getUpperBound2D(i, j)
  setLowerBound(i, j, val, checkBounds=False)
  setLowerBound2D(i, j, val, checkBounds=False)
  setUpperBound(i, j, val, checkBounds=False)
  setUpperBound2D(i, j, val, checkBounds=False)