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> From: John Mayfield
> Sent: Monday, 25 July 2022 8:31 PM
> To: dpoly ; cdkuser
> Subject: Re: [Cdk-user] SMILES with @@ to 3D layout
>
> My view is this
<http://www.polyomino.com/>
From: John Mayfield
Sent: Monday, 25 July 2022 8:31 PM
To: dpoly ; cdkuser
Subject: Re: [Cdk-user] SMILES with @@ to 3D layout
My view is this is currently beyond CDK's capabilities and that part needs a
rewrite/not fit for purpose. Like it sort o
My view is this is currently beyond CDK's capabilities and that part needs
a rewrite/not fit for purpose. Like it sort of works but as you see it's a
bit half baked.
John
On Mon, 25 Jul 2022 at 08:23, dpoly wrote:
> My goal is to create 3D depictions of small organic molecules, monomers
> and p
My goal is to create 3D depictions of small organic molecules, monomers and
polymers, such as sugars, amino acids, polypeptides and the like. Stereo
chemistry is important.
I can use SMILES strings to create a molecular structure and 2D layout
(StructureDiagramGenerator) just fine. 3D (ModelBui
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