I have been drawing chemical from smile using python package rdkit and I was wondering if it could be possible to do the same from R as I am using R much more in my work. I played with ChemmineR which seems great but I can't figure out how to make it work fully.
first if I try converting my smile to sdf I get this error
Error in validObject(.Object) : invalid class “SDFset” object: invalid object for slot "ID" in class "SDFset": got class "NULL", should be or extend class "character"
It seems that installing ChemmineOB solve this problem and the plot function let me see the basic structure of my chemical but then trying to get better figure using the visualize function return the following error : An error occured. Please try again
Finally there is the 3D function generate3DCoords which seems to work but then how to plot it ? because using the plot function is not showing anything useful.