Description Usage Arguments Value Examples
View source: R/cinf-hydrogens.R
Deletes explicit hydrogens.
1 | del_expl_hydr(mol, add_impl, recalc_attribs)
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mol |
Molecule |
add_impl |
Whether to add implicit hydrogens. Dafault: TRUE |
recalc_attribs |
Whether to recalculate additional attributes for atoms. Dafault: FALSE |
Molecule without explicit hydrogen atoms
1 2 3 | data("alkans74")
mol <- alkans74.mdb[[10]]
mol_noh <- del_expl_hydr(mol)
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