Structure Manipulation Librairies

  • afpdb: structure manipulation package for AI protein design
    Code Last Commit Publication
  • biopandas: Working with molecular structures of biological macromolecules (from PDB and MOL2 files) in pandas DataFrames
    Code Last Commit Publication Link
  • PDBFixer: application for fixing problems in PDB - Protein Data Bank files, missing residues, loop... (standalone)
    Code Last Commit
  • pdb-tools: pdb-tools: a swiss army knife for molecular structures
    Code Last Commit Publication