smiles.to.iatom: Get iatom containers from SMILES
In MetaDBparse: Annotate Mass over Charge Values with Databases and Formula Prediction
Description
Usage
Arguments
Value
See Also
Examples
Description
FUNCTION_DESCRIPTION
Usage
1
2
## S3 method for class 'to.iatom'
smiles(smiles, silent = TRUE, cl = 0)
Arguments
smiles
character vector of smiles
silent
suppress warnings?, Default: TRUE
cl
parallel::makeCluster object for multithreading, Default: 0
Value
iatom containers for use in rcdk package
See Also
Examples
1
smiles.to.iatom(c('OC[C@H]1OC(O)[C@H](O)[C@H](O)[C@H]1O'))
MetaDBparse documentation built on May 3, 2021, 5:09 p.m.
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Description Usage Arguments Value See Also Examples
Description
FUNCTION_DESCRIPTION
Usage
1 2 | ## S3 method for class 'to.iatom'
smiles(smiles, silent = TRUE, cl = 0)
|
Arguments
smiles |
character vector of smiles |
silent |
suppress warnings?, Default: TRUE |
cl |
parallel::makeCluster object for multithreading, Default: 0 |
Value
iatom containers for use in rcdk package
See Also
Examples
1 | smiles.to.iatom(c('OC[C@H]1OC(O)[C@H](O)[C@H](O)[C@H]1O'))
|
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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