├── .github └── workflows │ └── main.yml ├── .gitignore ├── LICENSE ├── README.md ├── examples ├── 1A2K_r_l_b.model.pdb ├── 1A2K_r_l_b.pdb ├── 1EXB.cif.gz ├── 1EXB_r_l_b.model.pdb ├── 1EXB_r_l_b.pdb ├── 1HHO_hem.cif ├── 2HHB_hem.cif ├── 6qwn-assembly1.cif.gz ├── 6qwn-assembly2.cif.gz ├── dimer_dimer.model.pdb ├── dimer_dimer.pdb ├── model.pdb └── native.pdb ├── pyproject.toml ├── run_test.sh ├── setup.cfg ├── setup.py ├── src └── DockQ │ ├── DockQ.py │ ├── __init__.py │ ├── __main__.py │ ├── constants.py │ ├── operations.pyx │ ├── operations_nocy.py │ └── parsers.py ├── testdata ├── 1A2K.dockq ├── 1A2K.dockq2 ├── 1EXB.dockq ├── 1EXB_.ABC.dockq ├── 1EXB_AB.BA.dockq ├── 1EXB_ABCDEFGH.BADCFEHG.dockq ├── 1EXB_DH.AE.dockq ├── 1EXB_DH.AE_cif.dockq ├── 6q2n_peptide.dockq ├── dimer_dimer.dockq └── model.dockq └── update_testdata.sh /.github/workflows/main.yml: -------------------------------------------------------------------------------- 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