From b1a69bdfff0fd434c6de92d97c41a68b599c2f6d Mon Sep 17 00:00:00 2001 From: Gabriel Studer <gabriel.studer@unibas.ch> Date: Tue, 8 Nov 2022 22:16:21 +0100 Subject: [PATCH] lDDT: bugfix --- modules/mol/alg/pymod/lddt.py | 3 +++ 1 file changed, 3 insertions(+) diff --git a/modules/mol/alg/pymod/lddt.py b/modules/mol/alg/pymod/lddt.py index 77ce6690d..cb5d90ccf 100644 --- a/modules/mol/alg/pymod/lddt.py +++ b/modules/mol/alg/pymod/lddt.py @@ -613,6 +613,9 @@ class lDDTScorer: if n_exp > 0: score = np.sum(per_res_conserved[idx,:]) / n_exp per_res_lDDT[res_indices[idx]] = score + else: + per_res_lDDT[res_indices[idx]] = 0.0 + # do full model score if penalize_extra_chains: -- GitLab