rdkit.Chem.Pharm3D.Pharmacophore module — The RDKit 2016.09.1 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)