pdb-tools: a swiss army knife for molecular structures

F1000Res. 2018 Dec 20:7:1961. doi: 10.12688/f1000research.17456.1. eCollection 2018.

Abstract

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.

Keywords: PDB; Python; bioinformatics; chemistry; macromolecules; protein structure; structural biology.

Publication types

  • Research Support, N.I.H., Extramural
  • Research Support, Non-U.S. Gov't

MeSH terms

  • Amino Acid Sequence
  • Databases, Protein*
  • Models, Molecular
  • Molecular Structure*
  • Software*