message: improved handling of modified residues
diff: @@ -184,11 +184,16 @@ namespace AccessibleSurfaceArea {
  }
  const atomId = label_atom_id.value(aI);
  - const residueId = label_comp_id.value(rI);
  + let compId = label_comp_id.value(rI);
  +
  + // handle modified residues
  + const parentId = model.properties.modifiedResidues.parentId.get(compId);
  + if (parentId !== void 0) compId = parentId;
  +
  if (isNucleic(residueType)) {
  - ctx.atomRadius[aI] = determineRadiusNucl(atomId, element, residueId);
  + ctx.atomRadius[aI] = determineRadiusNucl(atomId, element, compId);
  } else if (residueType === MoleculeType.protein) {
  - ctx.atomRadius[aI] = determineRadiusAmino(atomId, element, residueId);
  + ctx.atomRadius[aI] = determineRadiusAmino(atomId, element, compId);
  } else {
  ctx.atomRadius[aI] = VdwRadius(element);
  }
  