public static Peptide PeptideFromString(string peptideString, PeptideBuilderOptions options = null) { var sequence = Regex.Replace(peptideString.ToUpperInvariant(), "[^A-Z]", "") .Select(aminoAcidCode => aminoAcidCode.ToAminoAcidName()); return(PeptideFromSequence(sequence, options)); }
public static Peptide PeptideFromSequence(AminoAcidSequence aminoAcidNameSequence, PeptideBuilderOptions options = null) { if (options == null) { options = new PeptideBuilderOptions(); } if (options.BuildMolecule) { var aminoAcidReferences = aminoAcidNameSequence .Select(sequenceItem => AminoAcidLibrary.Get(sequenceItem.AminoAcidName, sequenceItem.ResidueNumber)); return(PeptideFromAminoAcids(aminoAcidReferences)); } else { var aminoAcidReferences = aminoAcidNameSequence .Select((aa, idx) => new AminoAcidReference(aa.AminoAcidName, aa.ResidueNumber, null, new List <uint>(), 0, 0)) .ToList(); return(new Peptide(new MoleculeReference(new Molecule()), aminoAcidReferences)); } }
public static Peptide PeptideFromSequence( IEnumerable <AminoAcidName> aminoAcidNameSequence, PeptideBuilderOptions options = null) { if (options == null) { options = new PeptideBuilderOptions(); } if (options.BuildMolecule) { var aminoAcidReferences = aminoAcidNameSequence .Select((aminoAcidName, idx) => AminoAcidLibrary.Get(aminoAcidName, options.FirstSequenceNumber + idx)); return(PeptideFromAminoAcids(aminoAcidReferences)); } else { var aminoAcidReferences = aminoAcidNameSequence .Select((aa, idx) => new AminoAcidReference(aa, options.FirstSequenceNumber + idx, null, new List <uint>(), 0, 0)) .ToList(); return(new Peptide(new MoleculeReference(new Molecule()), aminoAcidReferences)); } }