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@@ -408,7 +408,7 @@ function getModels(s: Structure) {
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}
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function getUniqueResidueNames(s: Structure) {
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- const prop = StructureProperties.atom.label_comp_id;
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+ const { microheterogeneityCompIds } = StructureProperties.residue;
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const names = new Set<string>();
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const loc = StructureElement.Location.create(s);
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for (const unitGroup of s.unitSymmetryGroups) {
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@@ -420,8 +420,8 @@ function getUniqueResidueNames(s: Structure) {
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while (residues.hasNext) {
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const seg = residues.move();
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loc.element = unit.elements[seg.start];
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- // TODO check for microhet
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- names.add(prop(loc));
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+ const compIds = microheterogeneityCompIds(loc);
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+ for (const compId of compIds) names.add(compId);
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}
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}
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return names;
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