pdb2pqr
v3.4.0
  • Getting PDB2PQR
  • Using PDB2PQR
  • Getting help
  • Supporting PDB2PQR
  • Extending PDB2PQR
  • File formats
    • Molecular structure formats
      • PQR molecular structure format
      • PDB molecular structure format
      • MOL2 molecular structure format
    • Parameter formats
      • PDB2PQR NAMES files
      • PDB2PQR DAT files
  • API Reference
  • Release history
pdb2pqr
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  • File formats
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File formats¶

Molecular structure formats¶

  • PQR molecular structure format
  • PDB molecular structure format
  • MOL2 molecular structure format

Parameter formats¶

  • PDB2PQR NAMES files
  • PDB2PQR DAT files
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