rdkit.Chem.Pharm3D.Pharmacophore module¶
- class rdkit.Chem.Pharm3D.Pharmacophore.ExplicitPharmacophore(feats=None, radii=None)¶
Bases:
objectthis 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)¶
