/** * Copyright (c) 2020 mol* contributors, licensed under MIT, See LICENSE file for more info. * * @author Sebastian Bittrich * @author Alexander Rose */ import { Structure } from '../../mol-model/structure.js'; import { Task, RuntimeContext } from '../../mol-task/index.js'; import { Vec3 } from '../../mol-math/linear-algebra.js'; import { ParamDefinition as PD } from '../../mol-util/param-definition.js'; import { MembraneOrientation } from './prop.js'; export declare const ANVILParams: { numberOfSpherePoints: PD.Numeric; stepSize: PD.Numeric; minThickness: PD.Numeric; maxThickness: PD.Numeric; asaCutoff: PD.Numeric; adjust: PD.Numeric; tmdetDefinition: PD.BooleanParam; }; export type ANVILParams = typeof ANVILParams; export type ANVILProps = PD.Values; /** * Implements: * Membrane positioning for high- and low-resolution protein structures through a binary classification approach * Guillaume Postic, Yassine Ghouzam, Vincent Guiraud, and Jean-Christophe Gelly * Protein Engineering, Design & Selection, 2015, 1–5 * doi: 10.1093/protein/gzv063 * * ANVIL is derived from TMDET, the corresponding classification of hydrophobic amino acids is provided as optional parameter: * Gabor E. Tusnady, Zsuzsanna Dosztanyi and Istvan Simon * Transmembrane proteins in the Protein Data Bank: identification and classification * Bioinformatics, 2004, 2964-2972 * doi: 10.1093/bioinformatics/bth340 */ export declare function computeANVIL(structure: Structure, props: ANVILProps): Task; export declare function calculate(runtime: RuntimeContext, structure: Structure, params: ANVILProps): Promise; export declare function isInMembranePlane(testPoint: Vec3, normalVector: Vec3, planePoint1: Vec3, planePoint2: Vec3): boolean; /** Returns true if the definition considers this as membrane-favoring amino acid */ export declare function isHydrophobic(definition: Set, label_comp_id: string): boolean; /** Accessible surface area used for normalization. ANVIL uses 'Total-Side REL' values from NACCESS, from: Hubbard, S. J., & Thornton, J. M. (1993). naccess. Computer Program, Department of Biochemistry and Molecular Biology, University College London, 2(1). */ export declare const MaxAsa: { [k: string]: number; };