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Clarification: Are hydrogens added during pdb→pdbqt conversion? #10

@Leiyan22

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@Leiyan22

Hello,

Thank you very much for your great work on this project.
I have a quick question regarding the preprocessing pipeline.

When converting .pdb files into .pdbqt, are hydrogens (especially polar hydrogens) automatically added during this step?
From reading the code, it doesn’t seem that this is handled explicitly. Is hydrogen addition not required in your pipeline, or should users add hydrogens manually before running docking?

Thank you for your time and clarification!

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