remove.hydrogens {rcdk}

Remove explicit hydrogens.

Description

Create an copy of the original structure with explicit hydrogens removed. Stereochemistry is updated but up and down bonds in a depiction may need to be recalculated. This can also be useful for descriptor calculations.

Usage

remove.hydrogens(mol)

Arguments

mol

The molecule to query. Should be a 'jobjRef' representing an 'IAtomContainer'

Value

A copy of the original molecule, with explicit hydrogens removed

Author(s)

Rajarshi Guha ([e-mail])

See Also

get.hydrogen.count, get.total.hydrogen.count