moleculekit.distance_utils module

moleculekit.distance_utils.cdist(coords1, coords2, results)

moleculekit.distance_utils.contacts_trajectory(coords, box, sel1, sel2, digitized_chains, selfdist, pbc, dist_threshold=5.0)

moleculekit.distance_utils.dist_trajectory(coords, box, sel1, sel2, digitized_chains, selfdist, pbc, results)

moleculekit.distance_utils.dist_trajectory_reduction(coords, box, groups1, groups2, digitized_chains1, digitized_chains2, selfdist, pbc, masses, reduction1, reduction2, results)

moleculekit.distance_utils.dist_trajectory_reduction_pairs(coords, box, groups1, groups2, digitized_chains1, digitized_chains2, pbc, masses, reduction1, reduction2, results)

moleculekit.distance_utils.get_collisions(coords1, coords2, dist_threshold)

moleculekit.distance_utils.pdist(coords, results)

moleculekit.distance_utils.squareform(distances)