diff --git a/modules/mol/alg/pymod/lddt.py b/modules/mol/alg/pymod/lddt.py index d7d9caf1af0809c31f2422eab7a5d9fe0298d7b7..365f9d805e95071ec18476224391f8f368d3a4c2 100644 --- a/modules/mol/alg/pymod/lddt.py +++ b/modules/mol/alg/pymod/lddt.py @@ -508,9 +508,10 @@ class lDDTScorer: exp_prop = local_contact_prop + "_exp" conserved_prop = local_contact_prop + "_cons" for idx in res_indices: - residues[idx].SetIntProp(exp_prop, n_thresh * per_res_exp[idx]) + residues[idx].SetIntProp(exp_prop, + n_thresh * int(per_res_exp[idx])) residues[idx].SetIntProp(conserved_prop, - np.sum(per_res_conserved[idx,:])) + int(np.sum(per_res_conserved[idx,:]))) if return_dist_test: return lDDT, per_res_lDDT, res_indices, per_res_exp, per_res_conserved