Beispiel #1
0
        protected override string FindModificationChar(PepXmlModifications ppmods, ModificationAminoacidMass modaa, string pureSeq)
        {
            if (!ppmods.HasModification(modaa.Mass))
            {
                var newmod = new PepXmlModificationItem()
                {
                    Mass       = modaa.Mass,
                    IsVariable = true,
                };

                var aa = pureSeq[modaa.Position - 1];
                newmod.Aminoacid = aa.ToString();
                newmod.MassDiff  = Math.Round(modaa.Mass - new Aminoacids()[aa].MonoMass);
                if (modaa.Position == 1)
                {
                    newmod.IsTerminalN = true;
                }

                ppmods.Add(newmod);
                ppmods.AssignModificationChar();
            }
            return(ppmods.FindModificationChar(modaa.Mass));
        }