Hi Matt,
The problem is that you haven't included any atom mapping information that
allows the RDKit to know what to do with the reactants you provide.
Here's a short demo of what you're doing:
In [11]: rxn = AllChem.ReactionFromSmarts('C=C1CC=CC=C1>>Cc1c1')
In [12]: ps =
Hi Greg,
I see what I was doing wrong, I had put the ring closures inside the
brackets when I was mapping the atoms. (Which explains why I didn't see
any output there). That was simple error on my side, thanks so much Greg!!
Matt
On Mon, Sep 21, 2015 at 11:32 PM, Greg Landrum
Dear fellow RDKitters,
the RDKit community is always so helpful that I wanted share back a R
package which I thought that it could be of use to others, as well.
My pipelines are mostly in R so using RDKit API was not straightforward. I
collected in an R package a set of functions to cover my
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