diff --git a/mdpow/workflows/dihedrals.py b/mdpow/workflows/dihedrals.py index df85cdc3..bff213ee 100644 --- a/mdpow/workflows/dihedrals.py +++ b/mdpow/workflows/dihedrals.py @@ -204,7 +204,7 @@ def get_atom_indices(mol, SMARTS=SMARTS_DEFAULT): :keywords: - *mol* + *mol* :class:`rdkit.Chem.rdchem.Mol` object converted from `solute` *SMARTS* @@ -450,7 +450,7 @@ def periodic_angle_padding(df, padding=45): as input and pads the angles to maintain periodicity for properly plotting dihedral angle frequencies as KDE violins with :func:`~mdpow.workflows.dihedrals.dihedral_violins` and - :func:`~mdpow.workflows.dihedrals.plot_violins`. + :func:`~mdpow.workflows.dihedrals.plot_dihedral_violins`. Creates two new :class:`pandas.DataFrame` based on the `padding` value specified, pads the angle values, concatenates all three :class:`pandas.DataFrame`, maintaining original data and