>> Old: OBTetrahedralStereo(center = 7, viewFrom = 6, refs = 25 8 27 ,
>> clockwise)
>> New: OBTetrahedralStereo(center = 7, viewFrom = 6, refs = 8 27 25 ,
>> clockwise)
Nevermind. It's a question of the direction. So 8-27-25-8-27… around the circle
clockwise. That's the same as 25-8-27-25..
N
Hi Noel,
As you know, I'm working on a distance geometry builder for Open Babel, like in
RDKit. The bonus would be stereo-correct coordinate generation and likely
faster than the current OBBuilder.
I sat down and wrote a unit test, but there's something totally weird.
Here's the PR:
https://gi