It can, but you have to tell it how. It can't read your mind. Give it a
SMILES and either an atom list or a SMARTS that specifies what you want.
-P.
Sent from a cell phone. Please forgive brvty and m1St@kes.
On Sep 13, 2017 4:42 PM, "Michał Nowotka" wrote:
> True, but I'm only getting molfiles
I neglected to cc Rdkit on this earlier. If he can get the matching atom
list from their other program, he won't have to mess w. SMARTS matching in
Rdkit.
-P.
Sent from a cell phone. Please forgive brvty and m1St@kes.
-- Forwarded message --
From: "Peter S. Shenkin"
Date: Sep 13,
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