private void recordUnidentifiableModifiedResidues(List<ModifiedCompound> modComps) {
Set<StructureGroup> identifiedComps = new HashSet<StructureGroup>();
for (ModifiedCompound mc : modComps) {
identifiedComps.addAll(mc.getGroups(true));
}
// TODO: use the ModifiedAminoAcid after Andreas add that.
for (Group group : residues) {
if (group.getType().equals(GroupType.HETATM)) {
StructureGroup strucGroup = StructureUtil.getStructureGroup(group, true);
if (!identifiedComps.contains(strucGroup)) {
unidentifiableModifiedResidues.add(strucGroup);
}
}
}
}
