molstar
Version:
A comprehensive macromolecular library.
21 lines (20 loc) • 1.24 kB
TypeScript
/**
* Copyright (c) 2025 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author David Sehnal <david.sehnal@gmail.com>
*/
import { JSONCifLigandGraph, JSONCifLigandGraphAtom, JSONCifLigandGraphBondProps } from '../../extensions/json-cif/ligand-graph';
import { RGroupName } from './r-groups';
export declare const TopologyEdits: {
setElement: (graph: JSONCifLigandGraph, atomIds: number[], type_symbol: string) => Promise<void>;
addElement: (graph: JSONCifLigandGraph, parentId: number, type_symbol: string) => Promise<JSONCifLigandGraphAtom | undefined>;
removeAtoms: (graph: JSONCifLigandGraph, atomIds: number[]) => Promise<void>;
removeBonds: (graph: JSONCifLigandGraph, atomIds: number[]) => Promise<void>;
updateBonds: (graph: JSONCifLigandGraph, atomIds: number[], props: JSONCifLigandGraphBondProps) => Promise<void>;
attachRgroup: (graph: JSONCifLigandGraph, atomId: number, name: RGroupName) => Promise<void>;
};
export type GeometryEditFn = (param: number) => JSONCifLigandGraph;
export declare const GeometryEdits: {
twist: (graph: JSONCifLigandGraph, atomIds: number[]) => GeometryEditFn;
stretch: (graph: JSONCifLigandGraph, atomIds: number[]) => GeometryEditFn;
};