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Commit 5138595f authored by Alexander Rose's avatar Alexander Rose
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added more StructureSelectionQueries

parent d9aa5684
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......@@ -141,7 +141,7 @@ const ligand = MS.struct.modifier.union([
]),
])
// don't innclude branched entities as they have their own link representation
// don't include branched entities as they have their own link representation
const ligandPlusConnected = MS.struct.modifier.union([
MS.struct.modifier.exceptBy({
0: MS.struct.modifier.union([
......@@ -155,6 +155,21 @@ const ligandPlusConnected = MS.struct.modifier.union([
})
])
const ligandConnectedOnly = MS.struct.modifier.union([
MS.struct.modifier.exceptBy({
0: ligandPlusConnected,
by: ligand
})
])
// residues connected to ligands or branched entities
const connectedOnly = MS.struct.modifier.union([
MS.struct.combinator.merge([
branchedConnectedOnly,
ligandConnectedOnly
]),
])
const modified = MS.struct.modifier.union([
MS.struct.generator.atomGroups({
'chain-test': MS.core.rel.eq([MS.ammp('objectPrimitive'), 'atomistic']),
......@@ -183,6 +198,8 @@ export const StructureSelectionQueries = {
branchedConnectedOnly,
ligand,
ligandPlusConnected,
ligandConnectedOnly,
connectedOnly,
modified,
coarse,
}
......
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