Deletes explicit hydrogens.

del_expl_hydr(mol, add_impl, recalc_attribs)

Arguments

mol

Molecule

add_impl

Whether to add implicit hydrogens. Dafault: TRUE

recalc_attribs

Whether to recalculate additional attributes for atoms. Dafault: FALSE

Value

Molecule without explicit hydrogen atoms

Examples

data("alkans74") mol <- alkans74.mdb[[10]] mol_noh <- del_expl_hydr(mol)