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Polymerization Points using Package #9

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poojakedia opened this issue Jul 29, 2022 · 1 comment
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Polymerization Points using Package #9

poojakedia opened this issue Jul 29, 2022 · 1 comment

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@poojakedia
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Hi, I was wondering if your package can be used to find the polymerization points on the smiles strings represented by *. I am aware that the package returns the polymer SMILES to the degree of polymerization specified but for my purposes I need to have values with the polymerization points of the SMILES.

@wilsoa6
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wilsoa6 commented Jul 29, 2022

In the PolyMarker there are dictionaries which have smarts strings for function groups (polymaker().smiles_templates) and for the smarts reactions (polymaker().reactions). I dont think this is exactly what you are looking for, but you can probably create templates based on the smarts strings.

@wilsoa6 wilsoa6 closed this as completed Sep 13, 2023
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