Re: [Rdkit-discuss] News on 3D molecule visualization in RDKit (project: RDKit - 3Dmol.js integration)

2017-09-12 Thread Greg Landrum
Hi Malitha, Since we aren't yet ready to merge the GSoC2017 changes onto master, it's better if you do the pull request against the GSoC2017 branch. I will send a separate email with some more details. Best, -greg On Tue, Sep 12, 2017 at 7:06 PM, Malitha Kabir wrote: > Hi, > > I have submitte

Re: [Rdkit-discuss] News on 3D molecule visualization in RDKit (project: RDKit - 3Dmol.js integration)

2017-09-12 Thread Malitha Kabir
Hi, I have submitted a pull request at rdkit GSoC2017 branch for merging the most recent development on 3D visualization of molecules. Your comment on that for further improvement is highly appreciate. And please feel free to let me know about the new features. I will definitely try to include th

Re: [Rdkit-discuss] News on 3D molecule visualization in RDKit (project: RDKit - 3Dmol.js integration)

2017-09-06 Thread Greg Landrum
The plan here is that this code will eventually be merged onto master so that it becomes part of the main RDKit distribution. I will try to do some more testing so that this can be done before the 2017_09 release, but I'm not sure that I will be able to do that. Feedback from the rest of the commu

Re: [Rdkit-discuss] News on 3D molecule visualization in RDKit (project: RDKit - 3Dmol.js integration)

2017-08-31 Thread Paul Czodrowski
Malitha, this is a great piece of work and I highly recommend all RDKitters to have a look at it.. Paul Von: Malitha Kabir [mailto:malitha12...@gmail.com] Gesendet: Donnerstag, 31. August 2017 01:54 An: rdkit Betreff: [Rdkit-discuss] News on 3D molecule visualization in RDKit (project: RDKit -