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@@ -57,7 +57,9 @@ async function getStructure(model: Model, source:IngredientSource, props: { asse
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structure = await StructureSymmetry.buildAssembly(structure, assembly).run()
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structure = await StructureSymmetry.buildAssembly(structure, assembly).run()
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}
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}
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if (source.selection){
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if (source.selection){
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- const asymIds:string[] = source.selection.split(":")
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+ //use NGL selection string or :A or :B etc...
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+ const asymIds:string[] = source.selection.replace(" :","").split(" or")
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+ console.log(asymIds)
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const query = MS.struct.modifier.union([
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const query = MS.struct.modifier.union([
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MS.struct.generator.atomGroups({
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MS.struct.generator.atomGroups({
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'chain-test': MS.core.set.has([MS.set(...asymIds), MS.ammp('label_asym_id')])
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'chain-test': MS.core.set.has([MS.set(...asymIds), MS.ammp('label_asym_id')])
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