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I have the following code that highlight the carbonyl group on my molecule:
Note that I manually hard code the carbonyl group. RDKit provides the Fragment module to identify substructure in the molecule. With function that looks like:
Is there a way to highlight the image using Fragment module ? |
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If I'm reading the documentation right, I think the Fragment module only returns the number of matches, and no details about where those matches exactly are in the molecule. In case you need a quick reference that has all the SMARTS used in the fragment module uses you can check here https://github.com/rdkit/rdkit/blob/master/Data/FragmentDescriptors.csv |
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If I'm reading the documentation right, I think the Fragment module only returns the number of matches, and no details about where those matches exactly are in the molecule. In case you need a quick reference that has all the SMARTS used in the fragment module uses you can check here https://github.com/rdkit/rdkit/blob/master/Data/FragmentDescriptors.csv