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test_ligand

We only tested the ligand(chromophore) non covalent bonding with protein, some of the ligand don't have enough hydrogens after doing refinement. Actually hydrognes were not present in cif file generated by elbow.

4cjl resolution: 1.77Å total atomic number: 2744 ligand: 9PA total atomic number: 56(lost 2 H)

3en7 resolution: 2.81Å total atomic number: 7939 ligand: ABJ total atomic number: 35(lost 2 H)

4lgh resolution: 2.84Å total atomic number: 8122 ligand: 0JN total atomic number: 46(lost 3 H)

5d12 resolution: 3.00Å total atomic number: 8420 ligand: G97 total atomic number: 43(lost 3 H)

5t68 resolution: 2.93Å total atomic number: 8794 ligand: 77V total atomic number: 40

3tz9 resolution: 3.10Å total atomic number: 8502 ligand: AQU total atomic number: 65(lost 4 H)

5fv7 resolution: 2.84Å total atomic number: 9023 ligand: R3Z total atomic number: 35(lost 3 H)

5lwe resolution: 2.80Å total atomic number: 10615 ligand: 79k total atomic number: 51(lost 2 H)

5n1e resolution: 1.53Å total atomic number: 6799 ligand: 9NT total atomic number: 26(lost 2 H)

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