[R] How to draw chemical structures with R?
Luigi Marongiu
m@rong|u@|u|g| @end|ng |rom gm@||@com
Mon Dec 5 22:24:19 CET 2022
Hello,'
I have seen from this link
https://cran.r-project.org/web/packages/rcdk/vignettes/using-rcdk.html
that there is a way to draw chemical structures using R via rcdk package.
I tried to draw a simple structure but I got an error. What is it
missing? What is the correct syntax?
Thanks
```
library(rcdk)
smile <- 'c1ccccc1CC(=O)C(N)CC1CCCCOC1'
mol <- parse.smiles(smile)[[1]]
view.molecule.2d(mol)
> Error in view.molecule.2d(mol) : java.lang.NoSuchMethodError: <init>
```
More information about the R-help
mailing list