Hi Charmaine, Sorry for the slow reply.
On Wed, Feb 16, 2022 at 4:04 PM Charmaine Siu Man Chu < charmaine....@liverpoolchirochem.com> wrote: > > > I’m currently looking at the deprotection function within > Chem.rdDeprotect. Is it possible to specify a specific deprotection from > the in-built deprotection list and if so how can I go about doing that? > It is possible. The Deprotect function takes an optional second argument with a list of deprotections to use. Here's a simple example which collects the set of deprotections which apply to amines and then applies them to a molecule: only_amines = [x for x in rdDeprotect.GetDeprotections() if x.deprotection_class=='amine'] deprotected_mol = rdDeprotect.Deprotect(mol,only_amines) And here's the result of that: [image: image.png] Best regards, -greg
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