message: add ROOT check in correct place this time
diff: @@ -261,9 +261,19 @@ void cnn_visualization::process_molecules() {
  //generate base ligand pdbqt string
  std::string temp_lig_string = conv.WriteString(&lig_mol);
  std::stringstream lig_stream;
  + if(temp_lig_string.find("ROOT") == std::string::npos)
  + {
  lig_stream << "ROOT\n";
  + }
  lig_stream << temp_lig_string;
  - lig_stream << "ENDROOT\n" << "TORSDOF 0";
  + if(temp_lig_string.find("ENDROOT") == std::string::npos)
  + {
  + lig_stream << "ENDROOT\n";
  + }
  + if(temp_lig_string.find("TORSDOF") == std::string::npos)
  + {
  + lig_stream << "TORSDOF 0";
  + }
  lig_string = lig_stream.str();
  //generate base receptor pdbqt string
  