Adding hydrogen atoms to a pdb file

AuPosSOM vector calculation requires only polar hydrogens in the input pdb files.

addH.py file is a python script to add hydrogen atoms to a pdb file. You can add all hydrogen atoms or only polar hydrogens.

Type addH.py -h to see the help message :

Usage: addH.py [options]

Options:
  -h, --help        show this help message and exit
  -i structure.pdb  input pdb file
  -o structure.pdb  output pdb file
  --mergeNPH        Merge non polar hydrogens

Go here to download addH.py