message: divide receptor score by number of atoms
  remove vestigial hydrogen stuff
diff: @@ -577,7 +577,6 @@ void cnn_visualization::remove_residues() {
  int counter = 1;
  //iterate through residues
  - //for (auto res = residues.begin(); res != residues.end(); ++res)
  for(const auto& res: residues)
  {
  if (!visopts.verbose)
  @@ -614,9 +613,10 @@ void cnn_visualization::remove_residues() {
  std::string modified_mol_string = modify_pdbqt(atoms_to_remove, true);
  float score_val = score_modified_receptor(modified_mol_string);
  + float score_diff = original_score - score_val;
  + score_diff = score_diff / atoms_to_remove.size();
  for (auto f : atoms_to_remove) {
  - float score_diff = original_score - score_val;
  score_diffs[f] = score_diff;
  }
  }
  @@ -634,12 +634,10 @@ void cnn_visualization::add_adjacent_hydrogens(
  if (isRec) {
  mol = rec_mol;
  - mol.AddHydrogens();
  }
  else {
  mol = lig_mol;
  - mol.AddHydrogens();
  }
  std::unordered_set<std::string> hydrogens;
  @@ -674,8 +672,6 @@ void cnn_visualization::print_vector(const std::vector<int> &atoms_to_remove) {
  //removes individual atoms, scores them, and returns the diffs
  std::unordered_map<std::string, float> cnn_visualization::remove_each_atom() {
  - OBMol lig_mol_h = lig_mol;
  - lig_mol_h.AddHydrogens(); //just in case hydrogen numbers don't add up
  std::unordered_map<std::string, float> score_diffs;
  std::stringstream lig_stream(lig_string);
  @@ -808,12 +804,10 @@ void cnn_visualization::remove_ligand_atoms() {
  write_scores(both_score_diffs, false, "masking");
  - }
  -
  if (visopts.additivity.length() > 0) {
  write_additivity(individual_score_diffs, frag_score_diffs);
  }
  -
  + }
  }
  @@ -925,8 +919,8 @@ int cnn_visualization::get_openbabel_index(const std::string &xyz, bool rec) {
  std::unordered_map<std::string, float> cnn_visualization::remove_fragments(int size) {
  OBConversion conv;
  - OBMol lig_mol_h = lig_mol;
  - lig_mol_h.AddHydrogens(); //just in case hydrogen numbers don't add up
  + //OBMol lig_mol_h = lig_mol;
  + //lig_mol_h.AddHydrogens(); //just in case hydrogen numbers don't add up
  std::unordered_map<std::string, float> score_diffs;
  std::unordered_map<std::string, float> score_counts;
  