UNK should have ATOMS and not HETATOMS...

a3d9bc01 · Maarten L. Hekkelman · 52ea0bc7 · a3d9bc01
Commit a3d9bc01 authored Aug 03, 2020 by Maarten L. Hekkelman
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src/PDB2Cif.cpp
+1 -1

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--- a/src/PDB2Cif.cpp
+++ b/src/PDB2Cif.cpp
@@ -5160,7 +5160,7 @@ void PDBFileParser::ParseCoordinate(int modelNr)
 		charge = pdb2cifCharge(charge);

 		// if (CompoundFactory::instance().isKnownPeptide(resName) or CompoundFactory::instance().isKnownBase(resName))
-		if (mmcif::kAAMap.count(resName) or mmcif::kBaseMap.count(resName))
+		if (resName == "UNK" or mmcif::kAAMap.count(resName) or mmcif::kBaseMap.count(resName))
 		{
 			if (groupPDB == "HETATM")
 			{