From 3ab0c16ab353058cf256820742d87b97e2bbddbd Mon Sep 17 00:00:00 2001 From: Gerardo Tauriello <gerardo.tauriello@unibas.ch> Date: Fri, 9 Feb 2018 16:23:38 +0100 Subject: [PATCH] Add new ligand type to chemdict_parser. --- modules/io/src/mol/chemdict_parser.cc | 9 +++++---- 1 file changed, 5 insertions(+), 4 deletions(-) diff --git a/modules/io/src/mol/chemdict_parser.cc b/modules/io/src/mol/chemdict_parser.cc index 47f7f6f2d..cf97f5e23 100644 --- a/modules/io/src/mol/chemdict_parser.cc +++ b/modules/io/src/mol/chemdict_parser.cc @@ -195,17 +195,18 @@ void ChemdictParser::InitTypeMap() tm_["DNA LINKING"]=mol::ChemClass(mol::ChemClass::DNA_LINKING); tm_["RNA LINKING"]=mol::ChemClass(mol::ChemClass::RNA_LINKING); tm_["L-DNA LINKING"]=mol::ChemClass(mol::ChemClass::DNA_LINKING); - tm_["L-RNA LINKING"]=mol::ChemClass(mol::ChemClass::RNA_LINKING); + tm_["L-RNA LINKING"]=mol::ChemClass(mol::ChemClass::RNA_LINKING); tm_["R-DNA LINKING"]=mol::ChemClass(mol::ChemClass::DNA_LINKING); - tm_["R-RNA LINKING"]=mol::ChemClass(mol::ChemClass::RNA_LINKING); + tm_["R-RNA LINKING"]=mol::ChemClass(mol::ChemClass::RNA_LINKING); tm_["DNA OH 3 PRIME TERMINUS"]=mol::ChemClass(mol::ChemClass::DNA_LINKING); + tm_["DNA OH 5 PRIME TERMINUS"]=mol::ChemClass(mol::ChemClass::DNA_LINKING); tm_["PEPTIDE-LIKE"]=mol::ChemClass(mol::ChemClass::PEPTIDE_LINKING); tm_["PEPTIDE LINKING"]=mol::ChemClass(mol::ChemClass::PEPTIDE_LINKING); - tm_["PEPTIDE-LINKING"]=mol::ChemClass(mol::ChemClass::PEPTIDE_LINKING); + tm_["PEPTIDE-LINKING"]=mol::ChemClass(mol::ChemClass::PEPTIDE_LINKING); tm_["NON-POLYMER"]=mol::ChemClass(mol::ChemClass::NON_POLYMER); tm_["RNA OH 3 PRIME TERMINUS"]=mol::ChemClass(mol::ChemClass::RNA_LINKING); tm_["RNA OH 5 PRIME TERMINUS"]=mol::ChemClass(mol::ChemClass::RNA_LINKING); - tm_["?"]=mol::ChemClass(mol::ChemClass::UNKNOWN); + tm_["?"]=mol::ChemClass(mol::ChemClass::UNKNOWN); tm_["WATER"]=mol::ChemClass(mol::ChemClass::WATER); } -- GitLab