Re: [Rdkit-discuss] Draw molecule without wedge bonds (i.e no wedge bonds should be seen in the sag image)

2021-08-05 Thread Zoltan Takacs
Many thanks Paolo! This worked wonderfully. Best, Zoltan On 5 Aug 2021, at 15:48, Paolo Tosco wrote: drawer.drawOptions().prepareMolsBeforeDrawing = False ___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net

Re: [Rdkit-discuss] Draw molecule without wedge bonds (i.e no wedge bonds should be seen in the sag image)

2021-08-05 Thread Paolo Tosco
Hi Zoltan, this Jupyter snippet should do what you needL: from rdkit import Chem from rdkit.Chem.Draw import rdMolDraw2D from IPython.display import SVG mol = Chem.MolFromSmiles("[C@H](Cl)(Br)F") drawer = rdMolDraw2D.MolDraw2DSVG(200, 200) drawer.drawOptions().prepareMolsBeforeDrawing = False

[Rdkit-discuss] Draw molecule without wedge bonds (i.e no wedge bonds should be seen in the sag image)

2021-08-05 Thread Zoltan Takacs
Hi, I was wondering wether it is possible to toggle the wedge bond display or not when drawing a molecule. I use two function for drawing. One is the ‘MoltoFile' and the other one is the ‘rdMolDraw2D.MolDraw2DSVG'. I tried to set the wedgebond argument to false at several places even using the