Renumbers a PDB protein structure starting at residue 1, atom 1, or chain A

If you have a .pdb file with a protein structure where the first residue does NOT start at the number 1 this script renumbers the .pdb file as to have the first residue start at 1. This makes using this file in computation much easier. It can also renumber atoms to start at 1, and chains to start at A.

Run using the following command:

python3 ReNumb.py FILENAME.pdb CHOICE

Where CHOICE can be atom, residue, or chain

The script will generate a new file with the name renumbered_FILENAME.pdb