message: better atom name access from residue in keepNearestResidues
diff: @@ -127,7 +127,7 @@ void FlexInfo::keepNearestResidues(
  // Loop over residue atoms
  for(const auto ares: res->GetAtoms()){
  - if(!isSideChain(ares->GetResidue()->GetAtomID(&(*ares)))) continue; // skip backbone
  + if(!isSideChain(res->GetAtomID(ares))) continue; // skip backbone
  vector3 ar = ares->GetVector();
  @@ -189,7 +189,7 @@ void FlexInfo::extractFlex(OpenBabel::OBMol& receptor, OpenBabel::OBMol& rigid,
  std::unordered_map<std::size_t, double> residues_distances;
  FOR_ATOMS_OF_MOL(a, rigid){
  if(a->GetAtomicNum() == 1) continue; //heavy atoms only
  - if(!isSideChain(a->GetResidue()->GetAtomID(&(*a)))) continue; // skip backbone
  + //if(!isSideChain(a->GetResidue()->GetAtomID(&(*a)))) continue; // skip backbone
  vector3 v = a->GetVector();
  if (b.ptIn(v.x(), v.y(), v.z()))
  