Re: [Rdkit-discuss] Programatic access to the mol sanitation process results

Hi Lukas, On Thu, Feb 22, 2018 at 1:14 PM, Lukas Pravda wrote: > Dear rdkiters, > > > > I’m constructing molecules from scratch using python 3.5.4 and RDKit > 2017.09.2 and due to the variety of reasons some of them are violating > general principles of chemistry in a way

[Rdkit-discuss] Programatic access to the mol sanitation process results

Dear rdkiters, I’m constructing molecules from scratch using python 3.5.4 and RDKit 2017.09.2 and due to the variety of reasons some of them are violating general principles of chemistry in a way implemented in rdkit, so I’m getting information like: Explicit valence for atom # 14 N, 4,

Re: [Rdkit-discuss] date of RDKit User Group Meeting 2018

HI Thomas, The official announcement is coming in March. The save the date email came to this mailing list as well as twitter, linkedin, and a couple of other places: https://www.mail-archive.com/rdkit-discuss@lists.sourceforge.net/msg07666.html We are aware of the scheduling conflict with

[Rdkit-discuss] date of RDKit User Group Meeting 2018

Hi, I still haven't seen an official announcement about the RDKit User Group Meeting for this year, apart from a post on twitter saying that it will be held in Cambridge between 19 and 21 September. Incidentally, the EuroQSAR this year will be held on the same dates (16-20 September).