Uses of Class
org.openscience.cdk.pharmacophore.PharmacophoreAtom
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Packages that use PharmacophoreAtom Package Description org.openscience.cdk.pharmacophore -
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Uses of PharmacophoreAtom in org.openscience.cdk.pharmacophore
Methods in org.openscience.cdk.pharmacophore that return PharmacophoreAtom Modifier and Type Method Description static PharmacophoreAtom
PharmacophoreAtom. get(IAtom atom)
Methods in org.openscience.cdk.pharmacophore that return types with arguments of type PharmacophoreAtom Modifier and Type Method Description List<List<PharmacophoreAtom>>
PharmacophoreMatcher. getMatchingPharmacophoreAtoms()
Get the matching pharmacophore groups.List<List<PharmacophoreAtom>>
PharmacophoreMatcher. getUniqueMatchingPharmacophoreAtoms()
Get the uniue matching pharmacophore groups.Constructors in org.openscience.cdk.pharmacophore with parameters of type PharmacophoreAtom Constructor Description PharmacophoreAngleBond(PharmacophoreAtom patom1, PharmacophoreAtom patom2, PharmacophoreAtom patom3)
Create a pharmacophore distance constraint.PharmacophoreAtom(PharmacophoreAtom pharmacophoreAtom)
Create a pharmacophore group.PharmacophoreBond(PharmacophoreAtom patom1, PharmacophoreAtom patom2)
Create a pharmacophore distance constraint.
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