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molstar

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A comprehensive macromolecular library.

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/** * Copyright (c) 2020 mol* contributors, licensed under MIT, See LICENSE file for more info. * * Adapted from NGL. * * @author David Sehnal <david.sehnal@gmail.com> * @author Alexander Rose <alexander.rose@weirdbyte.de> */ import { Vec3 } from '../../../mol-math/linear-algebra'; import { Column } from '../../../mol-data/db'; import { Task } from '../../../mol-task'; import { ReaderResult as Result } from '../result'; import { StringLike } from '../../common/string-like'; export interface CubeFile { name: string; header: CubeFile.Header; atoms: CubeFile.Atoms; values: Float64Array; } export declare namespace CubeFile { interface Header { orbitals: boolean; comment1: string; comment2: string; atomCount: number; origin: Vec3; dim: Vec3; basisX: Vec3; basisY: Vec3; basisZ: Vec3; dataSetIds: number[]; } interface Atoms { count: number; number: Column<number>; nuclearCharge: Column<number>; x: Column<number>; y: Column<number>; z: Column<number>; } } export declare function parseCube(data: StringLike, name: string): Task<Result<CubeFile>>;