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@@ -1,8 +1,10 @@
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/**
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- * Copyright (c) 2017-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
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+ * Copyright (c) 2017-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
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*
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* @author Alexander Rose <alexander.rose@weirdbyte.de>
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* @author Panagiotis Tourlas <panagiot_tourlov@hotmail.com>
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+ *
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+ * Adapted from MolQL project
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*/
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import { MolScriptBuilder } from '../../../mol-script/language/builder';
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@@ -34,7 +36,8 @@ function backboneExpr() {
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by: B.struct.generator.atomGroups({
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'atom-test': B.core.set.has([
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B.core.type.set(Backbone.protein),
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- B.ammp('label_atom_id')])
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+ B.ammp('label_atom_id')
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+ ])
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})
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}),
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B.struct.modifier.intersectBy({
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@@ -47,14 +50,13 @@ function backboneExpr() {
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by: B.struct.generator.atomGroups({
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'atom-test': B.core.set.has([
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B.core.type.set(Backbone.nucleic),
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- B.ammp('label_atom_id')])
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+ B.ammp('label_atom_id')
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+ ])
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})
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}),
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]);
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-
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}
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-
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export const keywords: KeywordDict = {
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all: {
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'@desc': 'All atoms currently loaded into PyMOL',
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@@ -104,7 +106,8 @@ export const keywords: KeywordDict = {
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'0': B.struct.generator.atomGroups({
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'residue-test': B.core.set.has([
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B.core.type.set(ResDict.nucleic.concat(ResDict.protein)),
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- B.ammp('label_comp_id')])
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+ B.ammp('label_comp_id')
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+ ])
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}),
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by: backboneExpr()
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});
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@@ -231,7 +234,7 @@ export const keywords: KeywordDict = {
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}),
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B.struct.generator.atomGroups({
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'atom-test': B.core.set.has([
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- h.atomNameSet(['C4*', 'C4']),
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+ h.atomNameSet(['C4*', 'C4\'']),
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B.ammp('label_atom_id')
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]),
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'residue-test': B.core.set.has([
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@@ -245,12 +248,12 @@ export const keywords: KeywordDict = {
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'@desc': 'All metal atoms (new in PyMOL 1.6.1)'
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},
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backbone: {
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- '@desc': 'the C, N, CA, and O atoms of a protein and the equivalent atoms in a nucleic acid.',
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+ '@desc': 'Polymer backbone atoms (new in PyMOL 1.6.1)',
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abbr: ['bb.'],
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map: () => backboneExpr()
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},
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- 'bFCLHMz55tjm16c9': {
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- '@desc': 'protein',
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+ 'polymer.protein': {
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+ '@desc': 'Protein (New in PyMOL 2.1)',
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abbr: ['polymer.protein'],
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map: () => B.struct.generator.atomGroups({
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'residue-test': B.core.set.has([
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@@ -259,8 +262,8 @@ export const keywords: KeywordDict = {
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])
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})
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},
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- 'bFCLHMz55tjm16c0': {
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- '@desc': 'nucleic acid',
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+ 'polymer.nucleic': {
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+ '@desc': 'Nucleic Acid (New in PyMOL 2.1)',
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abbr: ['polymer.nucleic'],
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map: () => B.struct.generator.atomGroups({
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'residue-test': B.core.set.has([
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