From fb65d50e9bb8cd06dccfd3d1e177409e01b7196f Mon Sep 17 00:00:00 2001
From: Valerio Mariani <valerio.mariani@unibas.ch>
Date: Fri, 24 May 2013 02:31:25 +0200
Subject: [PATCH] DRMSD is now capped
---
modules/mol/alg/src/distance_rmsd_test.cc | 3 +++
1 file changed, 3 insertions(+)
diff --git a/modules/mol/alg/src/distance_rmsd_test.cc b/modules/mol/alg/src/distance_rmsd_test.cc
index 6417548ec..af874421a 100644
--- a/modules/mol/alg/src/distance_rmsd_test.cc
+++ b/modules/mol/alg/src/distance_rmsd_test.cc
@@ -58,6 +58,9 @@ std::pair<Real, long int> calc_rmsd(const ResidueRDMap& res_distance_list, const
}
Real mdl_dist=geom::Length(av1.GetPos()-av2.GetPos());
Real diff = mdl_dist-values.first;
+ if (diff > cap_distance) {
+ diff = cap_distance;
+ }
if (log) {
// LOG_VERBOSE("drmsd:" << " " << av1.GetResidue().GetChain() << " " << av1.GetResidue().GetName() << " " << av1.GetResidue().GetNumber() << " " << av1.GetName()
// << " " << av2.GetResidue().GetChain() << " " << av2.GetResidue().GetName() << " " << av2.GetResidue().GetNumber() << " " << av2.GetName() << " "
--
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