diff --git a/src/tools/MolDataClass.cpp b/src/tools/MolDataClass.cpp index 009114d01d9beb5d687609f6832ed6fff16d044d..107ed2ee3d5725d2d54308a2f8e92e0da785653c 100644 --- a/src/tools/MolDataClass.cpp +++ b/src/tools/MolDataClass.cpp @@ -70,19 +70,35 @@ bool MolDataClass::allowedResidue( const std::string& type, const std::string& r else if(residuename=="HSP") return true; // HIS-P charmm else return false; } else if( type=="dna" ) { - if(residuename=="DA") return true; - else if(residuename=="DG") return true; - else if(residuename=="DT") return true; - else if(residuename=="DC") return true; + if(residuename=="A") return true; + else if(residuename=="A5") return true; + else if(residuename=="A3") return true; + else if(residuename=="AN") return true; + else if(residuename=="G") return true; + else if(residuename=="G5") return true; + else if(residuename=="G3") return true; + else if(residuename=="GN") return true; + else if(residuename=="T") return true; + else if(residuename=="T5") return true; + else if(residuename=="T3") return true; + else if(residuename=="TN") return true; + else if(residuename=="C") return true; + else if(residuename=="C5") return true; + else if(residuename=="C3") return true; + else if(residuename=="CN") return true; + else if(residuename=="DA") return true; else if(residuename=="DA5") return true; else if(residuename=="DA3") return true; else if(residuename=="DAN") return true; + else if(residuename=="DG") return true; else if(residuename=="DG5") return true; else if(residuename=="DG3") return true; else if(residuename=="DGN") return true; + else if(residuename=="DT") return true; else if(residuename=="DT5") return true; else if(residuename=="DT3") return true; else if(residuename=="DTN") return true; + else if(residuename=="DC") return true; else if(residuename=="DC5") return true; else if(residuename=="DC3") return true; else if(residuename=="DCN") return true;