public static double CalcMonoisotopicMass(string sequence, PeptideModificationState varMod, Modification[] fixMod) { double result = AminoAcid.CalcMonoisotopicMass(sequence) + varMod.GetDeltaMass(); foreach (char c in sequence) { result += GetDeltaFixed(c, fixMod); } return(result); }
public double CalcMass(string sequence, string[] fixedModifications) { Peptide peptide = new Peptide(sequence); peptide.ApplyFixedModifications(Tables.ToModifications(fixedModifications)); double result = peptide.MonoIsotopicMass; result += labelModifications.GetDeltaMass(); result += trueModifications.GetDeltaMass(); return(result); }