set.atom.types: set.atom.types
In rcdk: Interface to the 'CDK' Libraries
set.atom.types 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)
rcdk documentation built on July 9, 2023, 7:27 p.m.
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| set.atom.types | 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)
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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