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

Research output: Contribution to journalArticleAcademicpeer-review

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.

Original languageEnglish
Article number1961
JournalF1000Research
Volume2018
Issue number7
DOIs
Publication statusPublished - 1 Jan 2018

Funding

Grant information: J.P.G.L.M.R acknowledges funding from a Niels Stensen Fellowship and NIH grant R35GM122543. M.T. and A.M.J.J.B were supported by the European H2020 e-Infrastructure grant BioExcel (grant no. 675728).

Keywords

  • Bioinformatics
  • Chemistry
  • Macromolecules
  • PDB
  • Protein structure
  • Python
  • Structural biology

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