Class DockingUtils


  • public class DockingUtils
    extends java.lang.Object
    • Method Detail

      • createInitialOrientation

        public static Matrix createInitialOrientation​(Conformer conf)
      • calculateMassCovarianceMatrix

        public static Matrix calculateMassCovarianceMatrix​(Conformer conf)
      • randomVectorInSphere

        public static Coordinates randomVectorInSphere​(java.util.Random r)
      • repairMolecule3D

        public static void repairMolecule3D​(StereoMolecule lig)
      • assignLikelyProtonationStates

        public static void assignLikelyProtonationStates​(StereoMolecule mol)
      • addImplicitHydrogens

        public static void addImplicitHydrogens​(StereoMolecule mol)