RDKitMinimalLib.add_hs
— Functionadd_hs(mol::Mol, details::Union{Dict{String,Any},Nothing}=nothing)
Adds Hydrogens to the molecule.
Examples
mol = get_mol("CC(=O)Oc1ccccc1C(=O)O")
add_hs(mol)
RDKitMinimalLib.remove_all_hs
— Functionremove_all_hs(mol::Mol, details::Union{Dict{String,Any},Nothing}=nothing)
Removes all Hydrogens from the molecule.
Examples
mol = get_mol("CC(=O)Oc1ccccc1C(=O)O")
remove_all_hs(mol)