Metadata-Version: 2.4
Name: DockForge
Version: 1.0
Summary: Preparation package for molecular docking
Home-page: https://github.com/maydolina/DockForge
Author: Mina Aybüke Yakıcı
Author-email: myakici27@my.uaa.k12.tr
Keywords: molecule,docking,molecular docking,bioinformatics
Requires-Python: >=3.7
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: openbabel
Requires-Dist: pdbfixer
Requires-Dist: openmm
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# 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```
