From 1c428a533fce45d87c800cb876381964390f809f Mon Sep 17 00:00:00 2001
From: Stefan Bienert <stefan.bienert@unibas.ch>
Date: Wed, 10 Feb 2016 09:31:45 +0100
Subject: [PATCH] Extended linker types in chemdict parser
---
modules/io/src/mol/chemdict_parser.cc | 6 +++++-
1 file changed, 5 insertions(+), 1 deletion(-)
diff --git a/modules/io/src/mol/chemdict_parser.cc b/modules/io/src/mol/chemdict_parser.cc
index f760a00d4..3b878bbc4 100644
--- a/modules/io/src/mol/chemdict_parser.cc
+++ b/modules/io/src/mol/chemdict_parser.cc
@@ -160,8 +160,12 @@ void ChemdictParser::InitTypeMap()
if (!tm_.empty())
return;
tm_["L-PEPTIDE COOH CARBOXY TERMINUS"]=mol::ChemClass(mol::ChemClass::L_PEPTIDE_LINKING);
- tm_["L-PEPTIDE NH3 AMINO TERMINUS"]=mol::ChemClass(mol::ChemClass::L_PEPTIDE_LINKING);
+ tm_["L-PEPTIDE NH3 AMINO TERMINUS"]=mol::ChemClass(mol::ChemClass::L_PEPTIDE_LINKING);
+ tm_["L-GAMMA-PEPTIDE, C-DELTA LINKING"]=mol::ChemClass(mol::ChemClass::L_PEPTIDE_LINKING);
+ tm_["L-BETA-PEPTIDE, C-GAMMA LINKING"]=mol::ChemClass(mol::ChemClass::L_PEPTIDE_LINKING);
tm_["D-PEPTIDE NH3 AMINO TERMINUS"]=mol::ChemClass(mol::ChemClass::D_PEPTIDE_LINKING);
+ tm_["D-BETA-PEPTIDE, C-GAMMA LINKING"]=mol::ChemClass(mol::ChemClass::D_PEPTIDE_LINKING);
+ tm_["D-GAMMA-PEPTIDE, C-DELTA LINKING"]=mol::ChemClass(mol::ChemClass::D_PEPTIDE_LINKING);
tm_["L-SACCHARIDE 1,4 AND 1,4 LINKING"]=mol::ChemClass(mol::ChemClass::L_SACCHARIDE);
tm_["D-SACCHARIDE 1,4 AND 1,4 LINKING"]=mol::ChemClass(mol::ChemClass::D_SACCHARIDE);
tm_["L-SACCHARIDE"]=mol::ChemClass(mol::ChemClass::L_SACCHARIDE);
--
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