# pdbfixer

**Repository Path**: zhuzefeng/pdbfixer

## Basic Information

- **Project Name**: pdbfixer
- **Description**: mirror of <https://github.com/openmm/pdbfixer>
- **Primary Language**: Python
- **License**: MIT
- **Default Branch**: master
- **Homepage**: None
- **GVP Project**: No

## Statistics

- **Stars**: 0
- **Forks**: 0
- **Created**: 2021-09-11
- **Last Updated**: 2024-10-29

## Categories & Tags

**Categories**: Uncategorized

**Tags**: None

## README

[![Build Status](https://travis-ci.org/pandegroup/pdbfixer.svg?branch=master)](https://travis-ci.org/pandegroup/pdbfixer)

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](https://htmlpreview.github.io/?https://github.com/openmm/pdbfixer/blob/master/Manual.html)