From 612ea8fb6ba2faa24f484613a236f1b45dd14142 Mon Sep 17 00:00:00 2001
From: Gabriel Studer <gabriel.studer@unibas.ch>
Date: Thu, 14 Apr 2022 09:44:45 +0200
Subject: [PATCH] bugfix: cast np.int64 to int
---
modules/mol/alg/pymod/lddt.py | 5 +++--
1 file changed, 3 insertions(+), 2 deletions(-)
diff --git a/modules/mol/alg/pymod/lddt.py b/modules/mol/alg/pymod/lddt.py
index d7d9caf1a..365f9d805 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
--
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