Personal tools
You are here: Home Tips and tricks Adding hydrogen atoms to a pdb file

« March 2024 »
March
MoTuWeThFrSaSu
123
45678910
11121314151617
18192021222324
25262728293031
 

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

Document Actions
Log in


Forgot your password?