biojava
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‎CHANGELOG.md‎
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‎biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/AbstractCifFileSupplier.java‎
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‎biojava-structure/src/main/java/org/biojava/nbio/structure/io/cif/AbstractCifFileSupplier.java‎
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@@ -1,6 +1,11 @@
 BioJava Changelog
 -----------------
 
+BioJava 7.2.3 - future release
+==============================
+### Fixed
+* Don't use label_seq_id in mmCIF output for non-polymers #1116
+
 BioJava 7.2.2
 ==============================
 ### Fixed
 
@@ -308,7 +308,12 @@ public void accept(WrappedAtom wrappedAtom) {
                 }
             }
             labelEntityId.add(entityId);
-            labelSeqId.add(seqId);
+            // see https://github.com/biojava/biojava/issues/1116
+            if (chain.getEntityInfo().getType() == EntityType.POLYMER) {
+                labelSeqId.add(seqId);
+            } else {
+                labelSeqId.markNextNotPresent();
+            }
             String insCode = "";
             if (group.getResidueNumber().getInsCode() != null) {
                 insCode = Character.toString(group.getResidueNumber().getInsCode());