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molstar

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A comprehensive macromolecular library.

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/** * Copyright (c) 2019-2024 mol* contributors, licensed under MIT, See LICENSE file for more info. * * @author Alexander Rose <alexander.rose@weirdbyte.de> * @author Sebastian Bittrich <sebastian.bittrich@rcsb.org> */ import { SecondaryStructure } from '../../../mol-model/structure/model/properties/secondary-structure'; import { ParamDefinition as PD } from '../../../mol-util/param-definition'; import { Unit } from '../../../mol-model/structure'; /** * TODO bugs to fix: * - some turns are not detected correctly: see e.g. pdb:1acj - maybe more than 2 hbonds require some residue to donate electrons * - some sheets are not extended correctly: see e.g. pdb:1acj * - validate new helix definition * - validate new ordering of secondary structure elements */ export declare const DSSPComputationParams: { oldDefinition: PD.BooleanParam; oldOrdering: PD.BooleanParam; }; export type DSSPComputationParams = typeof DSSPComputationParams; export type DSSPComputationProps = PD.Values<DSSPComputationParams>; export declare const DefaultDSSPComputationProps: PD.Values<{ oldDefinition: PD.BooleanParam; oldOrdering: PD.BooleanParam; }>; export declare function computeUnitDSSP(unit: Unit.Atomic, params: DSSPComputationProps): Promise<SecondaryStructure>;