README.md

High resolution subset of PDB

1. resolution < 0.8, X-ray or Neutron data structure

2. remove all but protein(remove all the H/D)

3. remove alternative confromations

4. add H using ReadySet

5. place into a box

6. split into fragments

   Note: any fragment contain missing atoms amino acid will be discard

7. add capping H

8. validate each fragment

9. calculate charge

10. write out PDB file with fragment and charge in its REMARK