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@@ -141,7 +141,7 @@ const ligand = MS.struct.modifier.union([
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]),
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])
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-// don't innclude branched entities as they have their own link representation
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+// don't include branched entities as they have their own link representation
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const ligandPlusConnected = MS.struct.modifier.union([
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MS.struct.modifier.exceptBy({
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0: MS.struct.modifier.union([
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@@ -155,6 +155,21 @@ const ligandPlusConnected = MS.struct.modifier.union([
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})
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])
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+const ligandConnectedOnly = MS.struct.modifier.union([
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+ MS.struct.modifier.exceptBy({
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+ 0: ligandPlusConnected,
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+ by: ligand
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+ })
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+])
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+
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+// residues connected to ligands or branched entities
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+const connectedOnly = MS.struct.modifier.union([
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+ MS.struct.combinator.merge([
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+ branchedConnectedOnly,
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+ ligandConnectedOnly
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+ ]),
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+])
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+
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const modified = MS.struct.modifier.union([
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MS.struct.generator.atomGroups({
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'chain-test': MS.core.rel.eq([MS.ammp('objectPrimitive'), 'atomistic']),
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@@ -183,6 +198,8 @@ export const StructureSelectionQueries = {
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branchedConnectedOnly,
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ligand,
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ligandPlusConnected,
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+ ligandConnectedOnly,
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+ connectedOnly,
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modified,
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coarse,
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}
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