Recipe 2.7. Splitting a peptide
Problem
You want to split a peptide in a list of biological elements.
Solution
PeptideResidueManager can extract each bio-elements such as N/C termini and its residues in a list:
import org.expasy.jpl.core.mol.polymer.pept.PeptideResidueManager; // get the manager unique instance PeptideResidueManager manager = PeptideResidueManager.getInstance(); // create a peptide Peptide peptide = new Peptide.Builder( "H_A({128.10})CHUHEUHU({11.90})RHE_OH(P)").build(); // split the peptide in a list of molecules List<Molecule> l = manager.split(peptide); // list of residues + N/C terminus Assert.assertEquals(peptide.length() + 2, l.size()); Assert.assertTrue(l.get(0) instanceof NTerminus); Assert.assertTrue(l.get(1) instanceof ModifiedMolecule); Assert.assertTrue(l.get(2) instanceof AminoAcid);
Discussion
See Also
See also how to create a modified molecule.