Deletes explicit hydrogens.
del_expl_hydr(mol, add_impl, recalc_attribs)
mol | Molecule |
---|---|
add_impl | Whether to add implicit hydrogens. Dafault: TRUE |
recalc_attribs | Whether to recalculate additional attributes for atoms. Dafault: FALSE |
Molecule without explicit hydrogen atoms
data("alkans74") mol <- alkans74.mdb[[10]] mol_noh <- del_expl_hydr(mol)