Delete explicit hydrogens

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Description

Deletes explicit hydrogens.

Usage

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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

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

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