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README.md

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scripts

  1. Pull the repository.
  2. chmod +x fetch.sh
  3. ./fetch.sh pdbs.csv 10
  4. Use ./fetch.sh -h if confused.

#Steps are as follows.

  1. Download relevant pdb files.
  2. Use pdb_prep to cut extraneous chains and align to 3EA.
  3. Remove waters and extraneous ions.

Use at your own risk, spent short amount of time double checking.

Ligand Box defined by the coordinates -0.762,11.91, 3.930.