Hello RDKiters,
I'd like somehow to get canonical atoms order for RDKit Mol in python. Is
there a method/hack to get it? I've went though some code on github, but
cant see any method to get those data in python...
Pozdrawiam, | Best regards,
Maciek Wójcikowski
mac...@wojcikowski.pl
Thanks Greg!
Pozdrawiam, | Best regards,
Maciek Wójcikowski
mac...@wojcikowski.pl
2015-01-30 4:30 GMT+01:00 Greg Landrum greg.land...@gmail.com:
There's not currently a way to do this. It's pretty easy to add to the
python wrapper though, so I will go ahead and do that.
Here's