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On Deprotonation process on the PDB file, I see that you choose to deprotonate the file according to 'atom_name' field rather than element_symbol field.
Is there a reason why not to deprotonate according to element_symbol?
Your approach lives some H atoms in the PDB file. I could not find any explanation why they are more important than those that were deprotonated.
Thanks
The text was updated successfully, but these errors were encountered:
On Deprotonation process on the PDB file, I see that you choose to deprotonate the file according to 'atom_name' field rather than element_symbol field.
Is there a reason why not to deprotonate according to element_symbol?
Your approach lives some H atoms in the PDB file. I could not find any explanation why they are more important than those that were deprotonated.
Thanks
The text was updated successfully, but these errors were encountered: