F1000Research (Dec 2018)

pdb-tools: a swiss army knife for molecular structures [version 1; referees: 2 approved]

  • João P. G. L. M. Rodrigues,
  • João M.C. Teixeira,
  • Mikaël Trellet,
  • Alexandre M. J. J. Bonvin

DOI
https://doi.org/10.12688/f1000research.17456.1
Journal volume & issue
Vol. 7

Abstract

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The pdb-tools are a collection of Python scripts for working with molecular structure data in the Protein Data Bank (PDB) format. They allow users to edit, convert, and validate PDB files, from the command-line, in a simple but efficient manner. The pdb-tools are implemented in Python, without any external dependencies, and are freely available under the open-source Apache License at https://github.com/haddocking/pdb-tools/ and on PyPI.