CSMSL.Examples.Examples.IsotopologueExample C# (CSharp) Метод

        private static void IsotopologueExample()
        {
            var iso1 = new Isotopologue("One", ModificationSites.K);
            iso1.AddModification(new ChemicalFormulaModification("C1", "Sample 1"));
            iso1.AddModification(new ChemicalFormulaModification("C2", "Sample 2"));

            var iso2 = new Isotopologue("Two", ModificationSites.R);
            iso2.AddModification(new ChemicalFormulaModification("C3", "Sample 3"));
            iso2.AddModification(Modification.Empty);

            Peptide peptide = new Peptide("DEREK");
            peptide.SetModification(iso1);
            peptide.SetModification(iso2);

            foreach (var iso in peptide.GenerateIsotopologues())
            {
                Console.WriteLine(iso + ", " + iso.MonoisotopicMass);
            }
        }