eval.atomic.desc: Compute descriptors for each atom in a molecule
In rcdk: Interface to the 'CDK' Libraries
eval.atomic.desc R Documentation
Compute descriptors for each atom in a molecule
Description
Compute descriptors for each atom in a molecule
Usage
eval.atomic.desc(molecule, which.desc, verbose = FALSE)
Arguments
molecule
A molecule object
which.desc
A character vector of atomic descriptor class names
verbose
Optional. Default FALSE. Toggle verbosity.
Value
A 'data.frame' with atoms in the rows and descriptors in the columns
Author(s)
Rajarshi Guha (rajarshi.guha@gmail.com)
See Also
get.atomic.desc.names
rcdk documentation built on July 9, 2023, 7:27 p.m.
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| eval.atomic.desc | R Documentation |
Compute descriptors for each atom in a molecule
Description
Compute descriptors for each atom in a molecule
Usage
eval.atomic.desc(molecule, which.desc, verbose = FALSE)
Arguments
molecule |
A molecule object |
which.desc |
A character vector of atomic descriptor class names |
verbose |
Optional. Default |
Value
A 'data.frame' with atoms in the rows and descriptors in the columns
Author(s)
Rajarshi Guha (rajarshi.guha@gmail.com)
See Also
get.atomic.desc.names
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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