Knowing if it contains PDB files , simulation logs , or genomic data would allow me to tailor the technical sections (Methods/Results) much more accurately.

Contrast the RMSD (Root Mean Square Deviation) between the raw and fixed versions.

In computational biology, protein structures often require "fixing"—the process of adding missing atoms, correcting non-standard residues, or optimizing hydrogen bond networks.

Use of tools like PDB2PQR to assign protonation states at pH 7.0.

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