From 6a3f17a429e38708f2f8a6a47f73cd3a75240b31 Mon Sep 17 00:00:00 2001
From: Rafal Gumienny <guma44@gmail.com>
Date: Tue, 20 Mar 2018 11:20:18 +0100
Subject: [PATCH] fix: SCHWED-3128 Enable selections for lDDT references
---
modules/mol/alg/src/lddt.cc | 8 +++++++-
1 file changed, 7 insertions(+), 1 deletion(-)
diff --git a/modules/mol/alg/src/lddt.cc b/modules/mol/alg/src/lddt.cc
index 7c8079d56..64b094296 100644
--- a/modules/mol/alg/src/lddt.cc
+++ b/modules/mol/alg/src/lddt.cc
@@ -276,7 +276,13 @@ int main (int argc, char **argv)
if (!ref) {
exit(-1);
}
- ref_list.push_back(ref.CreateFullView());
+ if (settings.sel != ""){
+ std::cout << "Performing \"" << settings.sel << "\" selection on reference " << ref_filename << std::endl;
+ ref_list.push_back(ref.Select(settings.sel));
+ }
+ else {
+ ref_list.push_back(ref.CreateFullView());
+ }
}
CleanlDDTReferences(ref_list);
glob_dist_list = PreparelDDTGlobalRDMap(ref_list, settings);
--
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