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R
rcdk

remove.hydrogens

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 (rajarshi.guha@gmail.com)

See Also

rcdk

Interface to the 'CDK' Libraries

v3.5.0
LGPL
Authors
Rajarshi Guha [aut, cph], Zachary Charlop-Powers [cre], Emma Schymanski [ctb]
Initial release
2020-03-06

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