molstar
Version:
A comprehensive macromolecular library.
42 lines (41 loc) • 1.45 kB
TypeScript
/**
* 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>;
}