From 5138595f36df5a55e5c7c3483348e656b456ec66 Mon Sep 17 00:00:00 2001
From: Alexander Rose <alex.rose@rcsb.org>
Date: Mon, 14 Oct 2019 16:26:54 -0700
Subject: [PATCH] added more StructureSelectionQueries
---
.../util/structure-selection-helper.ts | 19 ++++++++++++++++++-
1 file changed, 18 insertions(+), 1 deletion(-)
diff --git a/src/mol-plugin/util/structure-selection-helper.ts b/src/mol-plugin/util/structure-selection-helper.ts
index eb0f1929b..d8016b318 100644
--- a/src/mol-plugin/util/structure-selection-helper.ts
+++ b/src/mol-plugin/util/structure-selection-helper.ts
@@ -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,
}
--
GitLab