Re: [Rdkit-discuss] Reaction Arrows

2017-12-05 Thread Greg Landrum
Hi Libby, There's not currently anything directly available to do this, but some pieces that might help are sort of there. You could imagine getting drawings of the reactions as SVG and then adding the arrows that indicate the mechanism to that. In order to do this, you'd likely want to be able

Re: [Rdkit-discuss] Support for newer conda versions

2017-12-05 Thread Gianluca Sforna
On Sun, Dec 3, 2017 at 10:52 AM, Greg Landrum wrote: > I'm starting the uploads of the conda builds of the 2017.09.2 RDKit release. In the meanwhile, I submitted the updates in the COPR repository, CentOS 7 and Fedora 26/27 64 bit.

Re: [Rdkit-discuss] RPM distros

2017-12-05 Thread Tim Dudgeon
Not sure how best to do this. This issue (https://github.com/rdkit/rdkit/issues/911) is closed, and only partly relevant. I'm happy to open a new issue to handle the CMake/CPack stuff for both deb and rpm, but not sure is that is really the way to go, considering Gianluca's comments. What

[Rdkit-discuss] Reaction Arrows

2017-12-05 Thread Phipps, Elizabeth C
Hi, The goal is to help students visualize reactions and to do so we have been working to figure out how to get reaction arrows in the reaction output. We cannot seem to find much information as to whether it is possible to have the output (a visual organic reaction) contain reaction arrows