Re: [Rdkit-discuss] Problem finding potential stereo-centres in bridged bicyclics involving 4-membered rings?

2021-05-19 Thread Greg Landrum
gt; > > > *From:* Greg Landrum > *Sent:* 19 May 2021 14:59 > *To:* James Davidson > *Cc:* rdkit-discuss@lists.sourceforge.net > *Subject:* Re: [Rdkit-discuss] Problem finding potential stereo-centres > in bridged bicyclics involving 4-membered rings? > > > >

Re: [Rdkit-discuss] Problem finding potential stereo-centres in bridged bicyclics involving 4-membered rings?

2021-05-19 Thread James Davidson
finding potential stereo-centres in bridged bicyclics involving 4-membered rings? Hi James, I don't think that's the same bug as #3490. I think it's something different; "yay". ;-) It would be great if you could file a github issue for this. Thanks, -greg On Wed, May 19, 2021 at 3:2

Re: [Rdkit-discuss] Problem finding potential stereo-centres in bridged bicyclics involving 4-membered rings?

2021-05-19 Thread Greg Landrum
Hi James, I don't think that's the same bug as #3490. I think it's something different; "yay". ;-) It would be great if you could file a github issue for this. Thanks, -greg On Wed, May 19, 2021 at 3:20 PM James Davidson wrote: > Dear All, > > > > I’ve got a strong suspicion that what I am

[Rdkit-discuss] Problem finding potential stereo-centres in bridged bicyclics involving 4-membered rings?

2021-05-19 Thread James Davidson
Dear All, I've got a strong suspicion that what I am seeing is related to the open issue 3490 (https://github.com/rdkit/rdkit/issues/3490), but as I can't seem to find a mention of a non-spiro problem then I thought I would share. Tested in 2020.09.4 and 2021.03.2 with the same result.