Re: [Rdkit-discuss] Highlighting atoms with different colors in a molecule

On Tue, Jun 4, 2019 at 4:32 PM Omar H94 wrote: > I wonder if it is possible to highlight different atoms with different > colors in a one molecule. For example, to highlight atom 1 in red and atom > 3 in blue in the same image of the molecule. If there’s a way to do this, I > would like to know

[Rdkit-discuss] Highlighting atoms with different colors in a molecule

Dear RDKit users, I wonder if it is possible to highlight different atoms with different colors in a one molecule. For example, to highlight atom 1 in red and atom 3 in blue in the same image of the molecule. If there’s a way to do this, I would like to know how. Thanks, Omar

Re: [Rdkit-discuss] Catching errors in SMILES files

Hi David, I think I already have a fix for this bug, I'll submit a PR later. If you can create a ?GitHub issue it would be great so I can link my PR to the bug. Thanks, cheers p. On 06/04/19 12:10, David Cosgrove wrote: Hi Paolo, Many thanks for the speedy reply.  I'll do as you suggest

Re: [Rdkit-discuss] Catching errors in SMILES files

Hi Paolo, Many thanks for the speedy reply. I'll do as you suggest for now. Do you want me to file an issue on github, or even, maybe, see if I can fix it myself? Cheers, Dave On Mon, Jun 3, 2019 at 5:32 PM Paolo Tosco wrote: > Hi David, > > a workaround could be adding a final check after