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