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protein-science - Scripts and Tools

Strip Hydrogens

Sebastian Raschka, 05/14/2015
Version 1.0



I would be happy to hear your comments and suggestions. Please feel free to drop me a note via [twitter](https://twitter.com/rasbt), [email](mailto:[email protected]), or [google+](https://plus.google.com/+SebastianRaschka).


The strip_h.py strips hydrogen atoms from PDB files in single file or batch mode



Requirements:

  • Python 2.7.x or Python 3.x


Usage:

run python strip_h.py --help for the usage information:

usage: strip_h.py [-h] [-i INPUT] [-o OUTPUT] [-r] [-v]

Renumber residues in a pdb file

optional arguments:
  -h, --help            show this help message and exit
  -i INPUT, --input INPUT
                        Input PDB file or directory
  -o OUTPUT, --output OUTPUT
                        Output PDB file or directory
  -r, --recursive       Applies strip_h recursively if --input is a directory
  -v, --version         show program's version number and exit


Example

command:

python grab_atom_radius.py -i ./main_pdb_dir -o ./output_dir --recursive