moleculekit.atomselect_utils module

moleculekit.atomselect_utils.analyze_molecule(n_atoms, bonds, resid, insertion, chain_id, seg_id, protein, nucleic, protein_bb, nucleic_bb, uq_resid, fragments, masses, sidechain, atomnames)

moleculekit.atomselect_utils.within_distance(coords, cutoff, sel1, sel2, sel2_min_coords, sel2_max_coords, results)