import {z} from 'zod' export type File = {name: string, text: string}; export type CreateApiConvertPdbFileToProteinArgs = {body: File}; export type CreateApiConvertPdbFileToProteinOptions = {baseUrl: string, fetch?: typeof fetch | undefined}; export const pDBDescription = z.object({code: z.string().nullable().optional(), title: z.string().nullable().optional(), authors: z.array(z.string()).optional(), classification: z.string().nullable().optional(), deposition_date: z.string().nullable().optional(), keywords: z.array(z.string()).optional()}).and(z.record(z.string(), z.unknown())); export const pDBMissingResidue = z.object({name: z.string(), id: z.string()}).and(z.record(z.string(), z.unknown())); export const pDBExperiment = z.object({expression_system: z.string().nullable().optional(), missing_residues: z.array(pDBMissingResidue).optional(), source_organism: z.string().nullable().optional(), technique: z.string().nullable().optional()}).and(z.record(z.string(), z.unknown())); export const pDBTransformations = z.object({chains: z.array(z.string()), matrix: z.array(z.unknown()), vector: z.array(z.unknown())}).and(z.record(z.string(), z.unknown())); export const pDBAssembly = z.object({transformations: z.array(pDBTransformations), software: z.string().nullable().optional(), buried_surface_area: z.number().nullable().optional(), surface_area: z.number().nullable().optional(), delta_energy: z.number().nullable().optional(), id: z.number().int()}).and(z.record(z.string(), z.unknown())); export const pDBCrystallography = z.object({space_group: z.string().nullable().optional(), unit_cell: z.array(z.number()).nullable().optional()}).and(z.record(z.string(), z.unknown())); export const pDBGeometryOutput = z.object({assemblies: z.array(pDBAssembly).optional(), crystallography: pDBCrystallography.optional()}).and(z.record(z.string(), z.unknown())); export const pDBAtom = z.object({x: z.number(), y: z.number(), z: z.number(), element: z.string(), name: z.string().nullable().optional(), charge: z.number().nullable().optional(), occupancy: z.number().nullable().optional(), alt_loc: z.string().nullable().optional(), anisotropy: z.array(z.number().nullable()).nullable().optional(), bvalue: z.number().nullable().optional(), is_hetatm: z.boolean().nullable().optional()}).and(z.record(z.string(), z.unknown())); export const pDBResidue = z.object({name: z.string().nullable().optional(), full_name: z.string().nullable().optional(), atoms: z.record(z.string(), pDBAtom).optional(), number: z.number().int()}).and(z.record(z.string(), z.unknown())); export const pDBPolymerOutput = z.object({internal_id: z.string(), helices: z.array(z.array(z.string())).optional(), residues: z.record(z.string(), pDBResidue).optional(), sequence: z.string().nullable().optional(), strands: z.array(z.array(z.string())).optional()}).and(z.record(z.string(), z.unknown())); export const pDBNonPolymer = z.object({name: z.string(), full_name: z.string().nullable().optional(), atoms: z.record(z.string(), pDBAtom), internal_id: z.string(), polymer: z.string()}).and(z.record(z.string(), z.unknown())); export const pDBWater = z.object({name: z.string().nullable().optional(), full_name: z.string().nullable().optional(), atoms: z.record(z.string(), pDBAtom).optional(), internal_id: z.string().nullable().optional(), polymer: z.string()}).and(z.record(z.string(), z.unknown())); export const pDBModelOutput = z.object({polymer: z.record(z.string(), pDBPolymerOutput).optional(), non_polymer: z.record(z.string(), pDBNonPolymer).optional(), branched: z.object({}).optional(), water: z.record(z.string(), pDBWater).optional(), connections: z.array(z.array(z.number().int())).optional()}).and(z.record(z.string(), z.unknown())); export const pDBQuality = z.object({resolution: z.number().nullable().optional(), rfree: z.number().nullable().optional(), rvalue: z.number().nullable().optional()}).and(z.record(z.string(), z.unknown())); export const pDBOutput = z.object({description: pDBDescription, experiment: pDBExperiment, geometry: pDBGeometryOutput, models: z.array(pDBModelOutput).optional(), quality: pDBQuality.optional()}).and(z.record(z.string(), z.unknown())); export const validateResponse = async ( schema: { readonly '~standard': { readonly validate: (value: unknown) => ({ readonly value: Output; readonly issues?: undefined } | { readonly issues: ReadonlyArray<{ readonly message: string; readonly path?: ReadonlyArray | undefined }> }) | Promise<{ readonly value: Output; readonly issues?: undefined } | { readonly issues: ReadonlyArray<{ readonly message: string; readonly path?: ReadonlyArray | undefined }> }> } }, value: unknown ): Promise => { const result = await schema['~standard'].validate(value) if (result.issues !== undefined) { const detail = result.issues .map(({ message, path }) => path?.length ? `${path.map((segment) => String(typeof segment === 'object' ? segment.key : segment)).join('.')}: ${message}` : message ) .join('; ') throw new Error(`Response does not match the schema: ${detail}`, { cause: { issues: result.issues } }) } return result.value }; /** * Read Pdb * * POST /convert/pdb_file_to_protein */ export const createApiConvertPdbFileToProtein = async (args: CreateApiConvertPdbFileToProteinArgs, options: CreateApiConvertPdbFileToProteinOptions) => { const {baseUrl, fetch: fetchFn = fetch} = options ?? {} const query = new URLSearchParams() const headers = new Headers() headers.set('content-type', "application/json") headers.set('accept', "application/json") const url = `${baseUrl.replace(/\/+$/, '')}/convert/pdb_file_to_protein${query.size > 0 ? `?${query}` : ''}` const res = await fetchFn(url, {method: "POST", headers, body: JSON.stringify(args.body)}) if (!res.ok) throw new Error(`Request failed with status ${res.status}`, {cause: {status: res.status, body: await res.text()}}) return validateResponse(pDBOutput, await res.json()) };