del_expl_hydr {cinf}R Documentation

Delete explicit hydrogens

Description

Deletes explicit hydrogens.

Usage

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)

[Package cinf version 0.0-19 Index]