molstar
Version:
A comprehensive macromolecular library.
40 lines (39 loc) • 1.95 kB
TypeScript
/**
* Copyright (c) 2019 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author Sebastian Bittrich <sebastian.bittrich@rcsb.org>
* @author Alexander Rose <alexander.rose@weirdbyte.de>
*/
import { Task } from '../../../mol-task';
import { ParamDefinition as PD } from '../../../mol-util/param-definition';
import { Structure, StructureElement } from '../../../mol-model/structure';
export declare const ShrakeRupleyComputationParams: {
numberOfSpherePoints: PD.Numeric;
probeSize: PD.Numeric;
nonPolymer: PD.BooleanParam;
traceOnly: PD.BooleanParam;
};
export declare type ShrakeRupleyComputationParams = typeof ShrakeRupleyComputationParams;
export declare type ShrakeRupleyComputationProps = PD.Values<ShrakeRupleyComputationParams>;
export { AccessibleSurfaceArea };
interface AccessibleSurfaceArea {
readonly serialResidueIndex: ArrayLike<number>;
readonly area: ArrayLike<number>;
}
declare namespace AccessibleSurfaceArea {
/**
* Adapts the BioJava implementation by Jose Duarte. That implementation is based on the publication by Shrake, A., and
* J. A. Rupley. "Environment and Exposure to Solvent of Protein Atoms. Lysozyme and Insulin." JMB (1973).
*/
function compute(structure: Structure, props?: Partial<ShrakeRupleyComputationProps>): Task<AccessibleSurfaceArea>;
const enum Flag {
NA = 0,
Buried = 1,
Accessible = 2
}
/** Get relative area for a given component id */
function normalize(compId: string, asa: number): number;
function getValue(location: StructureElement.Location, accessibleSurfaceArea: AccessibleSurfaceArea): number;
function getNormalizedValue(location: StructureElement.Location, accessibleSurfaceArea: AccessibleSurfaceArea): number;
function getFlag(location: StructureElement.Location, accessibleSurfaceArea: AccessibleSurfaceArea): Flag;
}