rcdkplot {rcellminer} | R Documentation

## Plot molecules

### Description

Plot molecules in R plot window instead of separate Java window

### Usage

    rcdkplot(molecule, width = 300, height = 300, marg = 0, main = "")

### Arguments

`molecule` | an RCDK molecule
`width` | an integer width of the molecule
`height` | an integer height of the molecule
`marg` | margin for all side of the plot (default: 0)
`main` | a string the main title of the figure

### Details

Code taken from: http://www.cureffi.org/2013/09/23/a-quick-intro-to-chemical-informatics-in-r/

### Value

None

### Examples

    tmp <- parse.smiles("C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)(F)F")
    rcdkplot(tmp[[1]], width=300, height=300, main="Gemcitabine")

[Package rcellminer version 2.6.0 Index]