Package | Description |
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org.openscience.cdk.pharmacophore |
Modifier and Type | Method and Description |
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static PharmacophoreAtom |
PharmacophoreAtom.get(IAtom atom) |
Modifier and Type | Method and Description |
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List<List<PharmacophoreAtom>> |
PharmacophoreMatcher.getMatchingPharmacophoreAtoms()
Get the matching pharmacophore groups.
|
List<List<PharmacophoreAtom>> |
PharmacophoreMatcher.getUniqueMatchingPharmacophoreAtoms()
Get the uniue matching pharmacophore groups.
|
Constructor and Description |
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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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