reymond-group/smilesDrawer

Draw r-groups

Opened this issue · 1 comments

andrewdblevins commented

I would like to draw a central Scaffold with R-group attachment points like the following:
image

c1ccccc1[R] works but c1ccccc1[R1] throws an error.
SyntaxError: Expected "+", "-", ":", "@", "H", "]", or [a-z] but "1" found.

I am using c1ccccc1[Ra] as a workaround for now, but it would be nice if there was a way to do this kind of visualization.

Thanks

swamidass commented

That might be an error in the parser logic, but can you verify whether or not R1 works with rdkit or openbabel?