del_expl_hydr: Delete explicit hydrogens
In conmolfields: Continuous molecular fields

Deletes explicit hydrogens.

1	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

1
2
3

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

conmolfields documentation built on May 2, 2019, 4:18 p.m.

conmolfields index

Note that we can't provide technical support on individual packages. You should contact the package authors for that.

Description