rdkit.Chem.Pharm3D.Pharmacophore.ExplicitPharmacophore

Package rdkit :: Package Chem :: Package Pharm3D :: Module Pharmacophore :: Class ExplicitPharmacophore |
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# Class ExplicitPharmacophore

source code

    this is a pharmacophore with explicit point locations and radii

Instance Methods | [hide private]
__init__(self, feats=None, radii=None) | source code
_initializeFeats(self, feats, radii) | source code
getFeatures(self) | source code
getRadii(self) | source code
getFeature(self, i) | source code
getRadius(self, i) | source code
setRadius(self, i, rad) | source code
initFromString(self, text) | source code
initFromFile(self, inF) | source code
initFromLines(self, lines) | source code
__str__(self) | source code