molstar
Version:
A comprehensive macromolecular library.
38 lines (37 loc) • 1.78 kB
TypeScript
/**
* Copyright (c) 2017-2023 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 { StructureQuery } from '../query';
import { QueryFn } from '../context';
export declare function wholeResidues(query: StructureQuery): StructureQuery;
export interface IncludeSurroundingsParams {
radius: number;
elementRadius?: QueryFn<number>;
wholeResidues?: boolean;
}
export declare function includeSurroundings(query: StructureQuery, params: IncludeSurroundingsParams): StructureQuery;
export declare function querySelection(selection: StructureQuery, query: StructureQuery): StructureQuery;
export declare function intersectBy(query: StructureQuery, by: StructureQuery): StructureQuery;
export declare function exceptBy(query: StructureQuery, by: StructureQuery): StructureQuery;
export declare function union(query: StructureQuery): StructureQuery;
export declare function expandProperty(query: StructureQuery, property: QueryFn): StructureQuery;
export interface IncludeConnectedParams {
query: StructureQuery;
bondTest?: QueryFn<boolean>;
layerCount: number;
wholeResidues: boolean;
fixedPoint: boolean;
}
export declare function includeConnected({ query, layerCount, wholeResidues, bondTest, fixedPoint }: IncludeConnectedParams): StructureQuery;
export interface SurroundingLigandsParams {
query: StructureQuery;
radius: number;
includeWater: boolean;
}
/**
* Includes expanded surrounding ligands based on radius from the source, struct_conn entries & pdbx_molecule entries.
*/
export declare function surroundingLigands({ query, radius, includeWater }: SurroundingLigandsParams): StructureQuery;