DockForge

Name	DockForge JSON
Version	1.0 JSON
	download
home_page	https://github.com/maydolina/DockForge
Summary	Preparation package for molecular docking
upload_time	2025-07-17 13:40:01
maintainer	None
docs_url	None
author	Mina Aybüke Yakıcı
requires_python	>=3.7
license	None
keywords	molecule docking molecular docking bioinformatics
VCS
bugtrack_url
requirements	setuptools openbabel pdbfixer openmm
Travis-CI	No Travis.
coveralls test coverage	No coveralls.

            # DockForge
A Python package for preparing proteins and ligands for molecular docking.  
Includes: hydrogen addition, charge assignment, format conversion, cleanup.

## Requirements
Requires **Open Babel** to be installed separately. Install via:  
```brew install open-babel``` or ```conda install -c conda-forge openbabel```  
See [Open Babel installation instructions](https://openbabel.org/docs/Installation/install.html).
  
Also requires PDBfixer. Install via:  
```conda install -c conda-forge pdbfixer```

            

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