Re: [Rdkit-devel] [Rdkit-announce] 2019.03.1 RDKit Release

2019-04-09 Thread Greg Landrum
Thanks for that feedback; when I am back in the office this weekend I will take a look at the Mac conda install and see if we can fix this with some specified dependencies On Wed, 10 Apr 2019 at 01:20, Drew Gibson wrote: > Hi, > > I'm using the 2019-03.1 conda build of the new version of

[Rdkit-devel] Canonical representation of Bond stereochemistry

2019-04-09 Thread Dan Wandschneider
I'm curious about what I should be using to set and get double bond stereochemistry. Is it the bond stereo of the double bond, or the bond directions of the adjacent bonds? I've been in-memory translating Mol objects into our internal representation of a molecule. I've been using the