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Commit 1e6e956e authored by Alexander Rose's avatar Alexander Rose
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improve pymol keywords

- rename polymer.protein and polymer.nucleic
- fix guide "C4'"
parent d08776bf
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/**
* Copyright (c) 2017-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
* Copyright (c) 2017-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author Alexander Rose <alexander.rose@weirdbyte.de>
* @author Panagiotis Tourlas <panagiot_tourlov@hotmail.com>
*
* Adapted from MolQL project
*/
import { MolScriptBuilder } from '../../../mol-script/language/builder';
......@@ -34,7 +36,8 @@ function backboneExpr() {
by: B.struct.generator.atomGroups({
'atom-test': B.core.set.has([
B.core.type.set(Backbone.protein),
B.ammp('label_atom_id')])
B.ammp('label_atom_id')
])
})
}),
B.struct.modifier.intersectBy({
......@@ -47,14 +50,13 @@ function backboneExpr() {
by: B.struct.generator.atomGroups({
'atom-test': B.core.set.has([
B.core.type.set(Backbone.nucleic),
B.ammp('label_atom_id')])
B.ammp('label_atom_id')
])
})
}),
]);
}
export const keywords: KeywordDict = {
all: {
'@desc': 'All atoms currently loaded into PyMOL',
......@@ -104,7 +106,8 @@ export const keywords: KeywordDict = {
'0': B.struct.generator.atomGroups({
'residue-test': B.core.set.has([
B.core.type.set(ResDict.nucleic.concat(ResDict.protein)),
B.ammp('label_comp_id')])
B.ammp('label_comp_id')
])
}),
by: backboneExpr()
});
......@@ -231,7 +234,7 @@ export const keywords: KeywordDict = {
}),
B.struct.generator.atomGroups({
'atom-test': B.core.set.has([
h.atomNameSet(['C4*', 'C4']),
h.atomNameSet(['C4*', 'C4\'']),
B.ammp('label_atom_id')
]),
'residue-test': B.core.set.has([
......@@ -245,12 +248,12 @@ export const keywords: KeywordDict = {
'@desc': 'All metal atoms (new in PyMOL 1.6.1)'
},
backbone: {
'@desc': 'the C, N, CA, and O atoms of a protein and the equivalent atoms in a nucleic acid.',
'@desc': 'Polymer backbone atoms (new in PyMOL 1.6.1)',
abbr: ['bb.'],
map: () => backboneExpr()
},
'bFCLHMz55tjm16c9': {
'@desc': 'protein',
'polymer.protein': {
'@desc': 'Protein (New in PyMOL 2.1)',
abbr: ['polymer.protein'],
map: () => B.struct.generator.atomGroups({
'residue-test': B.core.set.has([
......@@ -259,8 +262,8 @@ export const keywords: KeywordDict = {
])
})
},
'bFCLHMz55tjm16c0': {
'@desc': 'nucleic acid',
'polymer.nucleic': {
'@desc': 'Nucleic Acid (New in PyMOL 2.1)',
abbr: ['polymer.nucleic'],
map: () => B.struct.generator.atomGroups({
'residue-test': B.core.set.has([
......
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