Uses of Class
org.openscience.cdk.pharmacophore.PharmacophoreQueryAtom
-
Packages that use PharmacophoreQueryAtom Package Description org.openscience.cdk.pharmacophore -
-
Uses of PharmacophoreQueryAtom in org.openscience.cdk.pharmacophore
Constructors in org.openscience.cdk.pharmacophore with parameters of type PharmacophoreQueryAtom Constructor Description PharmacophoreQueryAngleBond(PharmacophoreQueryAtom atom1, PharmacophoreQueryAtom atom2, PharmacophoreQueryAtom atom3, double angle)
Create a query angle constraint between three query groups.PharmacophoreQueryAngleBond(PharmacophoreQueryAtom atom1, PharmacophoreQueryAtom atom2, PharmacophoreQueryAtom atom3, double lower, double upper)
Create a query angle constraint between three query groups.PharmacophoreQueryBond(PharmacophoreQueryAtom atom1, PharmacophoreQueryAtom atom2, double distance)
Create a query distance constraint between two query groups.PharmacophoreQueryBond(PharmacophoreQueryAtom atom1, PharmacophoreQueryAtom atom2, double lower, double upper)
Create a query distance constraint between two query groups.
-