| set.atom.types {rcdk} | R Documentation |
set.atom.types
Description
Set the CDK atom types for all atoms in the molecule.
Usage
set.atom.types(mol)
Arguments
mol |
The molecule whose atoms should be typed |
Details
Calling this method will overwrite any pre-existing type information. Currently there is no way to choose other atom typing schemes
Value
Nothing is returned, the molecule is modified in place
Author(s)
Rajarshi Guha (rajarshi.guha@gmail.com)
[Package rcdk version 3.8.1 Index]