message: warning on unsupported types
diff: @@ -152,7 +152,8 @@ public:
  }
  else
  {
  - CHECK_LE(t, 1) << "Unsupported atom type " << smina_type_to_string(t);
  + //CHECK_LE(t, 1) << "Unsupported atom type " << smina_type_to_string(t);
  + if(t > 1) std::cerr << "Ignoring unsupported atom type " << smina_type_to_string(t) << "\n";
  }
  }
  center /= acnt; //not ligand.size() because of hydrogens
  