add_impl_hydr: Add implicit hydrogens
In conmolfields: Continuous molecular fields
Description
Usage
Arguments
Value
Examples
Description
Adds implicit hydrogens.
Usage
1
add_impl_hydr(mol)
Arguments
mol
Molecule
Value
Molecule with added implicit hydrogen atoms
Examples
1
2
3
data("alkans74")
mol <- alkans74.mdb[[10]]
mol_h <- add_impl_hydr(mol)
conmolfields documentation built on May 2, 2019, 4:18 p.m.
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Description Usage Arguments Value Examples
Description
Adds implicit hydrogens.
Usage
1 | add_impl_hydr(mol)
|
Arguments
mol |
Molecule |
Value
Molecule with added implicit hydrogen atoms
Examples
1 2 3 | data("alkans74")
mol <- alkans74.mdb[[10]]
mol_h <- add_impl_hydr(mol)
|
R Package Documentation
Browse R Packages
We want your feedback!
Note that we can't provide technical support on individual packages. You should contact the package authors for that.
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