largestComponent {ChemmineR} | R Documentation

## Largest Component

### 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

    	largestComponent(sdfSet)

### Arguments

`sdfSet` | any SDFset object.

### Value

a new SDFset containing only single component compounds.

### Author(s)

Kevin Horan

### Examples

    	## Not run:
    		sdf = smiles2sdf(c("Cl.CCC1C2CC3C4C5(CC(C2C5O)N3C1O)C6=CC=CC=C6N4C	TEST"))
    		lg = largestComponent(sdf)

    ## End(Not run)

[Package ChemmineR version 3.46.0 Index]