Class PharmacophoreQuery

All Implemented Interfaces:
Cloneable, IAtomContainer, ICDKObject, IChemObject, IChemObjectListener, IQueryAtomContainer

public class PharmacophoreQuery extends QueryAtomContainer
Represents a colleciton of pharmacophore groups and constraints. This extends QueryAtomContainer since we need to be able to support things such as exclusion volumes, which cannot (easily) be represented as atom or bond analogs.
Author:
Rajarshi Guha
Source code:
main
Belongs to CDK module:
pcore
Keywords:
pharmacophore, 3D isomorphism
  • Constructor Details

    • PharmacophoreQuery

      public PharmacophoreQuery()
  • Method Details