diff --git a/structures/README.md b/structures/README.md index 54e605b..7fe73e6 100755 --- a/structures/README.md +++ b/structures/README.md @@ -1,4 +1,4 @@ -This dataset contains the optimized structures of the nitroxides, as XYZ files. +This dataset contains the optimized (and most stable) structures of the nitroxides, as XYZ files. They are organized as `{solvent}/{complexation_state}/mol_{n}/mol_{n}_{state}.xyz`, where: