rcdkplot {rcellminer} | R Documentation |
Plot molecules in R plot window instead of separate Java window
rcdkplot(molecule, width = 300, height = 300, marg = 0, main = "")
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 |
Code taken from: http://www.cureffi.org/2013/09/23/a-quick-intro-to-chemical-informatics-in-r/
None
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")