[Rdkit-devel] Canonical atom order

2015-01-29 Thread Maciek Wójcikowski
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

Re: [Rdkit-devel] Canonical atom order

2015-01-30 Thread Maciek Wójcikowski
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