reymond-group/smilesDrawer

Some Smiles rendered wrongly

Closed this issue · 2 comments

Valen-C12 commented

smiles: Cn1nc(NS(C)(=O)=O)c2cc(Cl)c(COc3ccc(Cl)c(Cl)c3)cc21
render with smilesDrawer:
image

expected:
img_v2_256eabf2-38e8-468a-91d0-b8958e5a4e7g

render with rdkit (expected):
img_v2_2776c68b-8a27-4d19-9f45-a5d1c48a5ccg

mgreiner79 commented

If you change 'compactDrawing' parameter to false then I think you should get the expected result.

      let options = {
        compactDrawing: false,
      };
      let smilesDrawer = new SmilesDrawer.Drawer(options);
Valen-C12 commented

If you change 'compactDrawing' parameter to false then I think you should get the expected result.

      let options = {
        compactDrawing: false,
      };
      let smilesDrawer = new SmilesDrawer.Drawer(options);

This is correct, thanks for the tip