From 0667758306f476bf7347e851490ac5fcb6c45928 Mon Sep 17 00:00:00 2001
From: Marco Biasini <marco.biasini@unibas.ch>
Date: Wed, 13 Oct 2010 14:29:23 +0200
Subject: [PATCH] Maybe improve guessing of atom element
---
modules/conop/src/builder.cc | 4 ++--
1 file changed, 2 insertions(+), 2 deletions(-)
diff --git a/modules/conop/src/builder.cc b/modules/conop/src/builder.cc
index b53a14644..50b7d54f0 100644
--- a/modules/conop/src/builder.cc
+++ b/modules/conop/src/builder.cc
@@ -113,7 +113,7 @@ String Builder::GuessAtomElement(const String& aname, bool hetatm)
}
// two characters
- if(ele.size()==2) {
+ if(aname.size()==2) {
for(int i=0;i<l2c;i++) {
if(ele==l2[i]) return ele;
}
@@ -147,7 +147,7 @@ String Builder::GuessAtomElement(const String& aname, bool hetatm)
if(ele==l3[i]) return ele;
}
}
- return "";
+ return String(1, aname[0]);
}
bool Builder::AreResiduesConsecutive(const mol::ResidueHandle& r1,
--
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