diff --git a/generate_rxn_image.py b/generate_rxn_image.py index 2a77291..6bfd292 100644 --- a/generate_rxn_image.py +++ b/generate_rxn_image.py @@ -14,9 +14,19 @@ ) rxn = ReactionFromSmarts(thiol_maleimide_click_smarts) -d2d = Draw.MolDraw2DCairo(-1, 150) + +# drawing +dpi = 400 +width_in = 4.0 +height_in = 1.5 +width_px = int(width_in * dpi) +height_px = int(height_in * dpi) + +d2d = Draw.MolDraw2DCairo(width_px, height_px) dopts = d2d.drawOptions() dopts.dummiesAreAttachments = True dopts.padding = 0.0 +dopts.bondLineWidth = dpi / 70 + d2d.DrawReaction(rxn) Path("reaction.png").write_bytes(d2d.GetDrawingText()) diff --git a/reaction.png b/reaction.png index d7103db..9aa2ead 100644 Binary files a/reaction.png and b/reaction.png differ