PDB File Format Explained: ATOM, HETATM, Resolution, B-factors

By BioDockify Computational Research Team · September 26, 2026 · Reference

PDB file format explained line by line — HEADER to ATOM records, ATOM vs HETATM, B-factors and occupancy, missing-residue REMARKs, mmCIF vs PDB, and errors that break docking.

Read the complete article with tables, code and references on BioDockify.

Key References

• RCSB PDB format documentation (wwPDB v3.3).
• Burley, S.K. et al. RCSB Protein Data Bank. Protein Sci. 32, e4573 (2023).

Scope & Limitations

Covers research-relevant records, not the full 40+ record zoo