PDBmender

Mend and add hydrogens to PDB files

Installation

apt install python2 gawk
python3 -m pip install pdbmender

Usage

PDBmender is a python module and not a CLI tool (yet). You may find an example in /examples

from pdbmender import mend_pdb, add_tautomers

mend_pdb(<original_pdb>, <cleaned_pdb>, <input_ff>, <output_ff>)