drugflow-molstar/lib/helpers.d.ts

Molstar implementation for DrugFlow

import { PluginContext } from 'Molstar/mol-plugin/context';
import Expression from 'Molstar/mol-script/language/expression';
import { BuiltInTrajectoryFormat } from 'Molstar/mol-plugin-state/formats/trajectory';
import { Model } from 'Molstar/mol-model/structure';
export type SupportedFormats = 'mmcif' | 'bcif' | 'cif' | 'pdb' | 'sdf';
export type LoadParams = {
    url: string;
    format?: BuiltInTrajectoryFormat;
    assemblyId?: string;
    isHetView?: boolean;
    isBinary?: boolean;
    pdb_string?: string;
    if_render?: boolean;
    render_type?: string;
    render_id?: string;
    ligand_name?: string;
    modelIndex?: number;
    ligand_site?: string;
};
export declare namespace PDBeVolumes {
    function mapParams(defaultParams: any, mapParams: any, ref?: string | number): any;
    function displayUsibilityMessage(plugin: PluginContext): void;
    function toggle(plugin: PluginContext): void;
}
export declare namespace AlphafoldView {
    function getLociByPLDDT(score: number, contextData: any): import("Molstar/mol-model/structure/structure/element/loci").Loci;
}
export type LigandQueryParam = {
    label_comp_id_list?: any;
    auth_asym_id?: string;
    struct_asym_id?: string;
    label_comp_id?: string;
    auth_seq_id?: number;
    show_all?: boolean;
};
export declare namespace LigandView {
    function query(ligandViewParams: LigandQueryParam): {
        core: Expression.Expression;
        surroundings: Expression.Expression;
    };
    function branchedQuery(params: any): {
        core: Expression.Expression;
        surroundings: Expression.Expression;
    };
}
export type QueryParam = {
    auth_seq_id?: number;
    entity_id?: string;
    auth_asym_id?: string;
    struct_asym_id?: string;
    residue_number?: number;
    start_residue_number?: number;
    end_residue_number?: number;
    auth_residue_number?: number;
    auth_ins_code_id?: string;
    start_auth_residue_number?: number;
    start_auth_ins_code_id?: string;
    end_auth_residue_number?: number;
    end_auth_ins_code_id?: string;
    atoms?: string[];
    label_comp_id?: string;
    color?: any;
    sideChain?: boolean;
    representation?: string;
    representationColor?: any;
    focus?: boolean;
    tooltip?: string;
    start?: any;
    end?: any;
    atom_id?: number[];
    uniprot_accession?: string;
    uniprot_residue_number?: number;
    start_uniprot_residue_number?: number;
    end_uniprot_residue_number?: number;
    group_PDB?: string;
};
export declare namespace QueryHelper {
    function getQueryObject(params: QueryParam[], contextData: any): Expression.Expression;
    function getInteractivityLoci(params: any, contextData: any): import("Molstar/mol-model/structure/structure/element/loci").Loci;
    function getHetLoci(queryExp: Expression.Expression, contextData: any): import("Molstar/mol-model/structure/structure/element/loci").Loci;
}
export interface ModelInfo {
    hetNames: string[];
    carbEntityCount: number;
}
export declare namespace ModelInfo {
    function get(model: Model, structures: any): Promise<ModelInfo>;
}