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molstar

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A comprehensive macromolecular library.

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/** * Copyright (c) 2017-2018 mol* contributors, licensed under MIT, See LICENSE file for more info. * * @author David Sehnal <david.sehnal@gmail.com> * @author Alexander Rose <alexander.rose@weirdbyte.de> */ import { Column } from '../../../../../mol-data/db'; import { UUID } from '../../../../../mol-util/uuid'; export interface AtomicConformation { id: UUID; /** * Uniquely identifies an atom, i.e. even accross models in a mmCIF file. */ atomId: Column<number>; /** * The fraction of the atom type present at this site. The sum of the occupancies of all the atom types * at this site may not significantly exceed 1.0 unless it is a dummy site. */ occupancy: Column<number>; /** * Isotropic atomic displacement parameter, or equivalent isotropic atomic displacement parameter, * B~eq~, calculated from the anisotropic displacement parameters. */ B_iso_or_equiv: Column<number>; /** * Are xyz coordinates defined? */ xyzDefined: boolean; /** * The x coordinate in angstroms specified according to a set of orthogonal Cartesian axes. */ x: ArrayLike<number>; /** * The y coordinate in angstroms specified according to a set of orthogonal Cartesian axes. */ y: ArrayLike<number>; /** * The z coordinate in angstroms specified according to a set of orthogonal Cartesian axes. */ z: ArrayLike<number>; }