Class ModificationLinkage

    • Constructor Detail

      • ModificationLinkage

        public ModificationLinkage​(List<Component> components,
                                   int indexOfComponent1,
                                   int indexOfComponent2)
        Parameters:
        components - Components involved in a modification.
        indexOfComponent1 - index of the first component.
        indexOfComponent2 - index of the second component.
      • ModificationLinkage

        public ModificationLinkage​(List<Component> components,
                                   int indexOfComponent1,
                                   String pdbNameOfAtomsOnComponent1,
                                   int indexOfComponent2,
                                   String pdbNameOfAtomsOnComponent2)
        Parameters:
        components - Components involved in a modification.
        indexOfComponent1 - index of the first component.
        labelOfAtomOnComponent1 - label of the atom on the first component.
        indexOfComponent2 - index of the second component.
        labelOfAtomOnComponent2 - label of the atom on the second component.
      • ModificationLinkage

        public ModificationLinkage​(List<Component> components,
                                   int indexOfComponent1,
                                   List<String> pdbNameOfPotentialAtomsOnComponent1,
                                   int indexOfComponent2,
                                   List<String> pdbNameOfPotentialAtomsOnComponent2)
        Parameters:
        components - Components involved in a modification.
        indexOfComponent1 - index of the first component.
        labelOfAtomOnComponent1 - label of the atom on the first component.
        indexOfComponent2 - index of the second component.
        labelOfAtomOnComponent2 - label of the atom on the second component.
      • ModificationLinkage

        public ModificationLinkage​(List<Component> components,
                                   int indexOfComponent1,
                                   List<String> pdbNameOfPotentialAtomsOnComponent1,
                                   String labelOfAtomOnComponent1,
                                   int indexOfComponent2,
                                   List<String> pdbNameOfPotentialAtomsOnComponent2,
                                   String labelOfAtomOnComponent2)
        Parameters:
        components - Components involved in a modification.
        indexOfComponent1 - index of the first component.
        pdbNameOfPotentialAtomsOnComponent1 - a list of PDB names of potential atoms on the first component.
        labelOfAtomOnComponent1 - label of the atom on the first component.
        indexOfComponent2 - index of the second component.
        pdbNameOfPotentialAtomsOnComponent2 - a list of PDB names of potential atoms on the second component.
        labelOfAtomOnComponent2 - label of the atom on the second component.