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Commit e89c1f9b authored by Marco Biasini's avatar Marco Biasini
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add ILE.CD as an alternative name for ILE.CD1

parent 91d7aef5
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......@@ -104,7 +104,12 @@ void ChemdictParser::OnDataItem(const StarDataItem& item)
} else if (item.GetName()==StringRef("atom_id", 7)) {
atom_.name=item.GetValue().str();
} else if (item.GetName()==StringRef("alt_atom_id", 11)) {
atom_.alt_name=item.GetValue().str();
if (compound_->GetID()=="ILE" && item.GetValue()==StringRef("CD1", 3)) {
atom_.alt_name="CD";
} else {
atom_.alt_name=item.GetValue().str();
}
} else if (item.GetName()==StringRef("type_symbol", 11)) {
atom_.element=item.GetValue().str();
} else if (item.GetName()==StringRef("pdbx_ordinal", 12)) {
......
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