clean up mmcif for yasara

PDB-REDO · Jan 28, 2025 · a799c97 · a799c97
1 parent b9959cf
commit a799c97
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Showing 2 changed files with 8 additions and 1 deletion.
diff --git a/src/structure.cpp b/src/structure.cpp
@@ -115,6 +115,13 @@ void stripCifFile(const std::string &af_id, std::set<std::string> requestedAsyms
 		existingAsyms.insert(asymID);
 	}
 
+	// For some reason, some filled structures contain spurrious struct_conn records...
+	for (const auto &[asym_id_1, asym_id_2] : struct_conn.rows<std::string,std::string>("ptnr1_label_asym_id", "ptnr2_label_asym_id"))
+	{
+		existingAsyms.insert(asym_id_1);
+		existingAsyms.insert(asym_id_2);
+	}
+
 	std::vector<std::string> toBeRemoved;
 	std::set_difference(existingAsyms.begin(), existingAsyms.end(), requestedAsyms.begin(), requestedAsyms.end(), std::back_insert_iterator(toBeRemoved));
 

diff --git a/webapp/optimized.js b/webapp/optimized.js
@@ -18,7 +18,7 @@ window.addEventListener('load', async () => {
 		const molstarContainer = document.getElementById("app");
 		const viewer = new PDBeMolstarPlugin();
 
-		viewer.events.loadComplete.subscribe(async () => {
+		viewer.events.loadComplete.subscribe(() => {
 			viewer.visual.focus([{ struct_asym_id: ASYM_ID }]);
 		});