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distance-geometry

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pdb-parser is a lightweight Python toolkit for processing NMR Protein Data Bank (PDB) structures and generating distance and torsion-angle constraints for Distance Geometry Problem (DGP) workflows. It extracts backbone and hydrogen atoms from protein chains and builds reordered DDGP/iDDGP instances for protein structure determination.

  • Updated May 20, 2026
  • Python

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