From 6fa1cd9e46d857e01f26ed3d26e6f435d99800f4 Mon Sep 17 00:00:00 2001
From: Xavier Robin <xavier.robin@unibas.ch>
Date: Wed, 20 Sep 2023 14:01:08 +0200
Subject: [PATCH] log: leave some trace of lack of valid contacts
---
modules/mol/alg/pymod/chain_mapping.py | 2 ++
1 file changed, 2 insertions(+)
diff --git a/modules/mol/alg/pymod/chain_mapping.py b/modules/mol/alg/pymod/chain_mapping.py
index 7a7627509..7b8d2f645 100644
--- a/modules/mol/alg/pymod/chain_mapping.py
+++ b/modules/mol/alg/pymod/chain_mapping.py
@@ -12,6 +12,7 @@ from scipy.special import factorial
from scipy.special import binom # as of Python 3.8, the math module implements
# comb, i.e. n choose k
+import ost
from ost import seq
from ost import mol
from ost import geom
@@ -1465,6 +1466,7 @@ class ChainMapper:
no_intrachain = only_interchain)
if lDDT is None:
+ ost.LogVerbose("No valid contacts in the reference")
lDDT = 0.0 # that means, that we have not a single valid contact
# in lDDT. For the code below to work, we just set it
# to a terrible score => 0.0
--
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