molstar
Version:
A comprehensive macromolecular library.
83 lines (82 loc) • 2.42 kB
JavaScript
;
/**
* 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
*/
Object.defineProperty(exports, "__esModule", { value: true });
exports.examples = void 0;
exports.examples = [{
name: 'All water residues',
value: 'water'
}, {
name: 'All C-alpha atoms',
value: 'name CA'
}, {
name: 'Residue 35',
value: 'resid 35'
}, {
name: 'C-alpha atoms of ALA',
value: 'name CA and resname ALA'
}, {
name: 'Backbone atoms',
value: 'backbone'
}, {
name: 'Non-protein atoms',
value: 'not protein'
}, {
name: 'Protein backbone or hydrogen atoms',
value: 'protein (backbone or name H)'
}, {
name: 'Atoms heavier than 20',
value: 'mass > 20'
}, {
name: 'Atoms with two bonds',
value: 'numbonds = 2'
}, {
name: 'Atoms with an absolute charge greater 1',
value: 'abs(charge) > 1'
}, {
name: 'Atoms with an x coordinate between -25 and -20',
value: 'x < -20 and x > -25'
}, {
name: 'Helices',
value: 'structure H'
}, {
name: 'Atoms with name "A 1"',
value: "name 'A 1'"
}, {
name: 'Atoms with name "A *"',
value: "name 'A *'"
}, {
name: 'Atoms with names starting with C',
value: 'name "C.*"'
}, {
name: 'Atoms within 10 ang of [25, 15, 10]',
value: 'sqr(x+25)+sqr(y+15)+sqr(z+10) <= sqr(10)'
}, {
name: 'Atoms within 5 ang of iron atoms',
value: 'within 5 of name FE'
}, {
name: 'Atoms around 10 ang of HEM residue',
value: 'exwithin 10 of resname HEM'
}, {
name: 'ALA residues within 15 ang of HEM',
value: 'resname ALA within 15 of resname HEM'
}, {
name: 'All groups that include an iron atom',
value: 'same resid as name FE'
}, {
name: 'Atoms with mass between 12 and 17.5',
value: 'mass 12 to 17.5'
}, {
name: 'Residues 60, 80, 90 and 142',
value: 'resid 60 80 90 142'
} /* , {
name: 'Residues ala, arg, asn, asp, cys, and tyr',
value: 'resname ALA to CYS TYR'
}*/
];