feat: Add interface atom and residue pairs #5
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…ts to Interface class - Implemented `interface_atom_pairs` to return interacting atom pairs within a specified cutoff. - Atoms are annotated with their interacting partners via the `interacting_atoms` attribute when `assign_attribute=True`. - Enhanced `interface_residue_pairs` to return interacting residue pairs within a specified cutoff. - Residues are annotated with their interacting partners via the `interacting_residues` attribute when `assign_attribute=True`. - Improved usability by making assigned attributes directly relevant to the function, enabling downstream analysis of interactions. - Updated both functions to ensure efficient use of the `SpaceQuery` KD-tree structure.
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interface_atom_pairsto return interacting atom pairs within a specified cutoff.interacting_atomsattribute whenassign_attribute=True.interface_residue_pairsto return interacting residue pairs within a specified cutoff.interacting_residuesattribute whenassign_attribute=True.SpaceQueryKD-tree structure.