message: Fix parse issue with small ligands
diff: @@ -321,6 +321,14 @@ float cnn_visualization::score_modified_receptor(
  //scores provided ligand string against unmodified ligand
  float cnn_visualization::score_modified_ligand(const std::string &mol_string) {
  +
  + //check if any ATOM fields present (removed fragment might be whole
  + //molecule)
  + if (mol_string.find("ATOM") == std::string::npos)
  + {
  + return 0;
  + }
  +
  std::stringstream lig_stream(mol_string);
  std::stringstream rec_stream(rec_string);
  