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rcellminer (version 1.4.2)

rcdkplot: 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

Value

  • None

concept

rcellminer

Details

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

Examples

Run this code
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")

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