parse_smiles: parse_smiles
In CDK-R/depict: Draw Beautiful Molecular Structures
parse_smiles R Documentation
parse_smiles
Description
simple smiles parser
Usage
parse_smiles(smi, generatecoords = TRUE, kekulise = TRUE)
Arguments
smi
Required. A smiles string
generatecoords
Optional. Default TRUE. Whether
to generate coordinates from the smiles
kekulise
Optional. Boolean. Default TRUE
Value
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CDK-R/depict documentation built on March 6, 2024, 7:19 a.m.
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| parse_smiles | R Documentation |
parse_smiles
Description
simple smiles parser
Usage
parse_smiles(smi, generatecoords = TRUE, kekulise = TRUE)
Arguments
smi |
Required. A smiles string |
generatecoords |
Optional. Default |
kekulise |
Optional. Boolean. Default |
Value
an IAtomContainer
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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