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reymond-group / smilesDrawer

A small, highly performant JavaScript component for parsing and drawing SMILES strings. Released under the MIT license.
https://smilesdrawer.rocks
MIT License
434 stars 68 forks source link

Draw r-groups #123

Open andrewdblevins opened 3 years ago

andrewdblevins commented 3 years ago

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 2 years ago

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