molstar
Version:
A comprehensive macromolecular library.
57 lines (56 loc) • 2.82 kB
TypeScript
/**
* Copyright (c) 2019 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author David Sehnal <david.sehnal@gmail.com>
*/
import { Mat4 } from '../../mol-math/linear-algebra.js';
import { PluginContext } from '../../mol-plugin/context.js';
export type SuperpositionTestInput = {
pdbId: string;
auth_asym_id: string;
matrix: Mat4;
}[];
export declare function buildStaticSuperposition(plugin: PluginContext, src: SuperpositionTestInput): Promise<void>;
export declare const StaticSuperpositionTestData: SuperpositionTestInput;
export declare function dynamicSuperpositionTest(plugin: PluginContext, src: string[], comp_id: string): Promise<void>;
export interface TMAlignResult {
tmScoreA: number;
tmScoreB: number;
rmsd: number;
alignedLength: number;
}
/**
* TM-align superposition: aligns two structures using TM-align algorithm
* @param plugin - Mol* plugin context
* @param pdbId1 - PDB ID of first structure (reference)
* @param chain1 - Chain ID of first structure
* @param pdbId2 - PDB ID of second structure (mobile)
* @param chain2 - Chain ID of second structure
* @param color1 - Optional color for first structure (hex, default blue)
* @param color2 - Optional color for second structure (hex, default red)
*/
export declare function tmAlignStructures(plugin: PluginContext, pdbId1: string, chain1: string, pdbId2: string, chain2: string, color1?: number, color2?: number): Promise<TMAlignResult | undefined>;
/**
* Load and display two structures without any alignment
* @param plugin - Mol* plugin context
* @param pdbId1 - PDB ID of first structure
* @param chain1 - Chain ID of first structure
* @param pdbId2 - PDB ID of second structure
* @param chain2 - Chain ID of second structure
* @param color1 - Optional color for first structure (hex, default blue)
* @param color2 - Optional color for second structure (hex, default red)
*/
export declare function loadStructuresNoAlignment(plugin: PluginContext, pdbId1: string, chain1: string, pdbId2: string, chain2: string, color1?: number, color2?: number): Promise<void>;
/**
* Sequence-based superposition: aligns two structures using sequence alignment + RMSD minimization
* @param plugin - Mol* plugin context
* @param pdbId1 - PDB ID of first structure (reference)
* @param chain1 - Chain ID of first structure
* @param pdbId2 - PDB ID of second structure (mobile)
* @param chain2 - Chain ID of second structure
* @param color1 - Optional color for first structure (hex, default blue)
* @param color2 - Optional color for second structure (hex, default red)
*/
export declare function sequenceAlignStructures(plugin: PluginContext, pdbId1: string, chain1: string, pdbId2: string, chain2: string, color1?: number, color2?: number): Promise<{
rmsd: number;
}>;