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  • example_contact_mapping.py 779 B
    from src.BioHelpers_FABER.cmap import Cmap
    from src.BioHelpers_FABER.visualisation import show_contact_map
    import src.BioHelpers_FABER.bio_mod as bm
    import Bio.PDB as PDB
    import matplotlib.pyplot as plt
    from matplotlib.patches import Rectangle
    
    
    def main():
        test_pdb = Cmap()
        test_pdb.load_native_pdb("1l9a.pdb", start_from_one=False, added_tail=0)
    
        print(test_pdb.positioning, test_pdb.l, test_pdb.contacts["native"].shape)
        print(test_pdb.get_unmodelled_regions())
        test_pdb.load_contacts_from_restraints("simrna_1l9a_L0.5.res", "DCA")
        print(test_pdb.ppvs["DCA"])
        # print(test_pdb.get_unmodelled_regions(), test_pdb.ppvs["DCA"])
        fig, ax = show_contact_map(test_pdb, ["DCA"], mark_match=True)
        plt.show()
    
    
    if __name__ == "__main__":
        main()