Re: [Rdkit-discuss] Conformer generation does not sample well?

Hi Sereina Many thanks for investigating this. Tim On 29/06/2016 09:29, Sereina wrote: Hi Tim, I had a look at the 1DWD example and I detail in the following the analysis I did as it may be useful to other users. The conformer generation function has the option to print the experimental

Re: [Rdkit-discuss] conda build of Release_2016_03_2 failed on Ubuntu 16.04.

Hi Riccardo, Thanks for your efforts and sorry that I didn't reply earlier. I am not sure about all the side conditions in order this error to occur but I am glad you can reproduce it. Markus - | Markus Sitzmann | markus.sitzm...@gmail.com > On 30.06.2016

Re: [Rdkit-discuss] RDkit Ruby binding /gem

Hi Michal, Thanks for the suggestion. I will try that. I really think a native ruby gem would be really awesome, especially for all those Ruby on rails users, such as me :-D. Regards, On Wed, Jun 29, 2016 at 2:42 AM, Michał Nowotka wrote: > Hi, > > I'm not aware of any native Ruby bindings.

Re: [Rdkit-discuss] RDkit Ruby binding /gem

On Thu, Jun 30, 2016 at 7:19 PM, Yannick .Djoumbou wrote: > > Thanks for the suggestion. I will try that. > I really think a native ruby gem would be really awesome, especially for > all those Ruby on rails users, such as me :-D. > It is certainly possible to produce such a thing. SWIG, the tool

Re: [Rdkit-discuss] conda build of Release_2016_03_2 failed on Ubuntu 16.04.

Hi Markus, I think the problem should be fixed now. The recipes were building the cartridge using the earlier release tag, and therefore executing tests that were not fully up-to-date. Please try again and let me know in case the problem persisted. Best, Riccardo -