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Use RDKit normalization method on all residue definitions #18

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Yoshanuikabundi opened this issue Jan 28, 2025 · 1 comment
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@Yoshanuikabundi
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Yoshanuikabundi commented Jan 28, 2025

Is your feature request related to a problem?

And at some point in the future, consider shifting to NAGL's version

https://www.rdkit.org/docs/source/rdkit.Chem.MolStandardize.rdMolStandardize.html

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@Yoshanuikabundi
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#62 points out that if this happens too early, it may stop residue definitions from matching PDBs with formal charges.

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