Package | Description |
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org.openscience.cdk.pharmacophore |
Constructor and Description |
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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.
|
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