Installation#
Requirements#
HBAT requires:
Python: 3.9 or higher
tkinter: Included with Python standard library on most systems. On macOS, install Python and tkinter using Homebrew:
brew install python python3-tk
Installation Methods#
From PyPI#
pip install hbat
From Github#
Recommended for fixing missing Hydrogen Atoms using PDBFixer (preferred over OpenBabel). See PDB Structure Fixing for details.
pip install git+https://github.com/abhishektiwari/hbat.git
If you installed HBAT from PyPI, you can also install PDBFixer using,
pip install git+https://github.com/openmm/pdbfixer.git
From Source#
git clone https://github.com/abhishektiwari/hbat.git
cd hbat
pip install -e .
From Conda#
conda install -c hbat hbat
Verification#
To verify the installation:
hbat --version
Or test the command line interface:
hbat --help