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));
}
}