set_atom_radius_A

macromol_voxelize.set_atom_radius_A(atoms: DataFrame, radius_A: float)

Assign all atoms the same radius.

Parameters:

• atoms – A dataframe representing the atoms to voxelize.

• radius_A – The radius to assign, in angstroms.

Returns:

The input dataframe, with a new radius_A column. Every row in this column will have the same value.