Class HBTerm

    • Method Summary

      All Methods Static Methods Instance Methods Concrete Methods 
      Modifier and Type Method Description
      static HBTerm create​(Conformer receptor, Conformer ligand, int acceptor, int donor, int hydrogen, boolean isLigAtomAcceptor, boolean isLigAtomDonor, int[] acceptorNeighbours, double scale)  
      double getFGValue​(double[] gradient)  
      • Methods inherited from class java.lang.Object

        clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait
    • Method Detail

      • create

        public static HBTerm create​(Conformer receptor,
                                    Conformer ligand,
                                    int acceptor,
                                    int donor,
                                    int hydrogen,
                                    boolean isLigAtomAcceptor,
                                    boolean isLigAtomDonor,
                                    int[] acceptorNeighbours,
                                    double scale)