largestComponent: Largest Component
In ChemmineR: Cheminformatics Toolkit for R
Description
Usage
Arguments
Value
Author(s)
Examples
Description
If a single compound in an SDF file contains more than one disconnected
component, this function will return an SDF with only the largest component,
removing all other components. This will be applied to each SDF in the given
SDFset.
Usage
1
largestComponent(sdfSet)
Arguments
sdfSet
any SDFset object.
Value
a new SDFset containing only single component compounds.
Author(s)
Kevin Horan
Examples
1
2
3
4
5
## Not run:
sdf = smiles2sdf(c("Cl.CCC1C2CC3C4C5(CC(C2C5O)N3C1O)C6=CC=CC=C6N4C TEST"))
lg = largestComponent(sdf)
## End(Not run)
ChemmineR documentation built on Feb. 28, 2021, 2:02 a.m.
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Description Usage Arguments Value Author(s) Examples
Description
If a single compound in an SDF file contains more than one disconnected component, this function will return an SDF with only the largest component, removing all other components. This will be applied to each SDF in the given SDFset.
Usage
1 | largestComponent(sdfSet)
|
Arguments
sdfSet |
any SDFset object. |
Value
a new SDFset containing only single component compounds.
Author(s)
Kevin Horan
Examples
1 2 3 4 5 | ## Not run:
sdf = smiles2sdf(c("Cl.CCC1C2CC3C4C5(CC(C2C5O)N3C1O)C6=CC=CC=C6N4C TEST"))
lg = largestComponent(sdf)
## End(Not run)
|
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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