Protein docking: get hits in top n

get_hits.jl

cutoff_a = 2.5

l_u_copy = deepcopy(all_residues_dict["l_u"])
close_irmsds = []

for score_rank in 1:length(top_scores)
    rotation_idx, t, score = top_scores[score_rank]
    translation = voxel_size * ([t[1],t[2],t[3]] - [center_val+1,center_val+1,center_val+1])
    all_residues_dict["l_u"] = apply_transformation(l_u_copy, get_rotation(rotation_vectors[rotation_idx,:]), translation)
    i_rmsd = calc_interface_rmsd(all_residues_dict)

    (i_rmsd < cutoff_a) && push!(close_irmsds, (score_rank, rotation_vectors[rotation_idx,:], score, i_rmsd))
end