Re: [Cdk-user] SMILES with @@ to 3D layout

2022-07-25 Thread John May
CS > > Polygamo – Programming Languages and Players for Games and Puzzles -- > 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

Re: [Cdk-user] SMILES with @@ to 3D layout

2022-07-25 Thread dpoly
<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

Re: [Cdk-user] SMILES with @@ to 3D layout

2022-07-25 Thread John Mayfield
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