del_expl_hydr: Delete explicit hydrogens

Description Usage Arguments Value Examples

Description

Deletes explicit hydrogens.

Usage

1
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

1
2
3
data("alkans74")
mol <- alkans74.mdb[[10]]
mol_noh <- del_expl_hydr(mol)


Search within the cinf package
Search all R packages, documentation and source code

Questions? Problems? Suggestions? or email at ian@mutexlabs.com.

Please suggest features or report bugs with the GitHub issue tracker.

All documentation is copyright its authors; we didn't write any of that.