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 : > 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 the github issue: > https:/

Re: [Rdkit-devel] Canonical atom order

2015-01-29 Thread Greg Landrum
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 the github issue: https://github.com/rdkit/rdkit/issues/421 -greg On Thu, Jan 29, 2015 at 4:57 PM, Maciek Wójcikowski wrote: > Hello RDKiters, > > I'd like someh