Re: [Rdkit-discuss] Annotations get trimmed on molecule renderings

2022-05-06 Thread David Cosgrove
Hi Giammy, You're right, the new pictures look pretty rubbish. I assume it's related to https://github.com/rdkit/rdkit/discussions/5195. I'll fix it over the weekend, and hopefully it'll show up in the next patch release. Dave On Fri, May 6, 2022 at 1:07 PM Gianmarco Ghiandoni wrote: > Hi

[Rdkit-discuss] Use custom tautomer rules in Rdkit

2022-05-06 Thread Chicago Ji
Hi all, I've been using TautomerEnumerator recently. I'm wondering whether it is possible to use custom tautomer rules in RdKit. For example, the SMIRKS rules listed in *J. Chem. Inf. Model.* 2020, 60, 3, 1253–1275. Thanks, Best Regards, Changge Ji

Re: [Rdkit-discuss] Annotations get trimmed on molecule renderings

2022-05-06 Thread Gianmarco Ghiandoni
Hi Dave, Thanks for your reply. The reason why my library sticks to 2021.09 is because I get even more trouble with later versions of RDKit. These are two examples of rendering with 2021 and 2022: [image: image.png][image: image.png] The good news is that your padding suggestion works, so I set