Changing the style of molecules to ACS 1996

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1

Hi,

I need to generate thousands of correctly formated molecules. The CDK and RDKit nodes provide a structure which I could process through Renderer to Image node but I would like to know if someone has a way to apply a formatting to the molecules (ACS 1996 style from chemdraw).

Thanks!
Alain

2

Hi Alain,

unfortunately I haven’t found anything in node documentations or knime examples related to that.

Best,
Martyna

1 Like
3

Hi Martyna,

Thanks for your answer :slight_smile:

Best,
Alain

4

ChemAxon can depict under different styles, it’s possible that the commercial nodes will allow you to do this.

https://docs.chemaxon.com/display/docs/Drawing+styles

5

Thanks im trying to get that working :slight_smile: