PDBFixer fixes problems in PDB files
Python HTML Shell
Latest commit f040687 Feb 3, 2017 @peastman peastman committed on GitHub Merge pull request #148 from peastman/version
Updated version number to 1.4

README.md

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PDBFixer

PDBFixer is an easy to use application for fixing problems in Protein Data Bank files in preparation for simulating them. It can automatically fix the following problems:

  • Add missing heavy atoms.
  • Add missing hydrogen atoms.
  • Build missing loops.
  • Convert non-standard residues to their standard equivalents.
  • Select a single position for atoms with multiple alternate positions listed.
  • Delete unwanted chains from the model.
  • Delete unwanted heterogens.
  • Build a water box for explicit solvent simulations.

See our manual