write auth_seq_num as well as pdb_seq_num for nonpolies

e01ace7e · Maarten L. Hekkelman · e004e159 · e01ace7e
Commit e01ace7e authored Feb 02, 2023 by Maarten L. Hekkelman
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src/pdb/pdb2cif.cpp
+5 -5

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--- a/src/pdb/pdb2cif.cpp
+++ b/src/pdb/pdb2cif.cpp
@@ -4343,11 +4343,11 @@ void PDBFileParser::ConstructEntities()
 		{ "mon_id", hetID },
 		{ "ndb_seq_num", seqNr },
 		{ "pdb_seq_num", het.seqNum },
-			// { "auth_seq_num", het.seqNum },	// ????
+		{ "auth_seq_num", het.seqNum },	// Yes
-			{ "pdb_mon_id", hetID },
+		{ "pdb_mon_id", hetID },
-			// { "auth_mon_id", hetID },
+		{ "auth_mon_id", hetID },
-			{ "pdb_strand_id", std::string{ het.chainID } },
+		{ "pdb_strand_id", std::string{ het.chainID } },
-			{ "pdb_ins_code", iCode } });
+		{ "pdb_ins_code", iCode } });
 		// mapping needed?
 		mChainSeq2AsymSeq[std::make_tuple(het.chainID, het.seqNum, het.iCode)] = std::make_tuple(asymID, seqNr, false);