Structure Manipulation Librairies

  • PDBFixer: application for fixing problems in PDB - Protein Data Bank files, missing residues, loop... (standalone)
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  • afpdb: structure manipulation package for AI protein design
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    Publication JIF

  • biopandas: Working with molecular structures of biological macromolecules (from PDB and MOL2 files) in pandas DataFrames
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    Publication

  • pdb-tools: pdb-tools: a swiss army knife for molecular structures
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    Publication