/** This file is auto-generated by the grok api command. If you notice any changes, please push them to the repository. Do not edit this file manually. */ import * as grok from 'datagrok-api/grok'; import * as DG from 'datagrok-api/dg'; export namespace scripts { export async function embed(molecule: string ): Promise { return await grok.functions.call('Bio:Embed', { molecule }); } /** Converts molecules to HELM notation by matching atoms against a monomer library */ export async function molToHelmConverterPy(moleculesDataframe: DG.DataFrame , moleculesColumn: DG.Column , libraryFile: DG.FileInfo ): Promise { return await grok.functions.call('Bio:MolToHelmConverterPy', { moleculesDataframe, moleculesColumn, libraryFile }); } /** Create the model peptides/DNA sequences with peptides data */ export async function sequenceGenerator(clusters: number , num_sequences: number , alphabet_key: string , motif_length: number , max_variants_position: number , random_length: number , dispersion: number , activity_range: number , cliff_probability: number , cliff_strength: number , cliff_strength_dispersion: number , assay_noise_levels: string , assay_scales: string , disable_negatives: boolean , fasta_separator: string | null, helm_library_file: DG.FileInfo | null, helm_connection_mode: string ): Promise { return await grok.functions.call('Bio:SequenceGenerator', { clusters, num_sequences, alphabet_key, motif_length, max_variants_position, random_length, dispersion, activity_range, cliff_probability, cliff_strength, cliff_strength_dispersion, assay_noise_levels, assay_scales, disable_negatives, fasta_separator, helm_library_file, helm_connection_mode }); } } export namespace funcs { export async function test1(): Promise { return await grok.functions.call('Bio:Test1', {}); } /** Returns an instance of the monomer library helper */ export async function getMonomerLibHelper(): Promise { return await grok.functions.call('Bio:GetMonomerLibHelper', {}); } export async function initBio(): Promise { return await grok.functions.call('Bio:InitBio', {}); } export async function sequenceTooltip(col: DG.Column ): Promise { return await grok.functions.call('Bio:SequenceTooltip', { col }); } export async function standardiseMonomerLibrary(library: string ): Promise { return await grok.functions.call('Bio:StandardiseMonomerLibrary', { library }); } /** Matches molecules in a column with monomers from the selected library(s) */ export async function matchWithMonomerLibrary(table: DG.DataFrame , molecules: DG.Column , polymerType: string ): Promise { return await grok.functions.call('Bio:MatchWithMonomerLibrary', { table, molecules, polymerType }); } export async function getBioLib(): Promise { return await grok.functions.call('Bio:GetBioLib', {}); } export async function getSeqHandler(sequence: DG.Column ): Promise { return await grok.functions.call('Bio:GetSeqHandler', { sequence }); } /** Creates a new column with sequences of the region between start and end */ export async function getRegionPanel(seqCol: DG.Column ): Promise { return await grok.functions.call('Bio:GetRegionPanel', { seqCol }); } export async function libraryPanel(seqColumn: DG.Column ): Promise { return await grok.functions.call('Bio:LibraryPanel', { seqColumn }); } export async function getRegionEditor(call: any ): Promise { return await grok.functions.call('Bio:GetRegionEditor', { call }); } export async function sequenceSpaceEditor(call: any ): Promise { return await grok.functions.call('Bio:SequenceSpaceEditor', { call }); } export async function seqActivityCliffsEditor(call: any ): Promise { return await grok.functions.call('Bio:SeqActivityCliffsEditor', { call }); } export async function customSequenceCellRenderer(): Promise { return await grok.functions.call('Bio:CustomSequenceCellRenderer', {}); } export async function fastaSequenceCellRenderer(): Promise { return await grok.functions.call('Bio:FastaSequenceCellRenderer', {}); } export async function separatorSequenceCellRenderer(): Promise { return await grok.functions.call('Bio:SeparatorSequenceCellRenderer', {}); } export async function bilnSequenceCellRenderer(): Promise { return await grok.functions.call('Bio:BilnSequenceCellRenderer', {}); } export async function refineNotationProviderForBiln(col: DG.Column , stats: any , separator?: string | null): Promise { return await grok.functions.call('Bio:RefineNotationProviderForBiln', { col, stats, separator }); } export async function macroMolColumnPropertyPanel(molColumn: DG.Column ): Promise { return await grok.functions.call('Bio:MacroMolColumnPropertyPanel', { molColumn }); } export async function compositionAnalysisWidget(sequence: any ): Promise { return await grok.functions.call('Bio:CompositionAnalysisWidget', { sequence }); } export async function monomerInfoPanel(monomerSv: any ): Promise { return await grok.functions.call('Bio:MonomerInfoPanel', { monomerSv }); } export async function macromoleculeDifferenceCellRenderer(): Promise { return await grok.functions.call('Bio:MacromoleculeDifferenceCellRenderer', {}); } export async function sequenceAlignment(alignType: string , alignTable: string , gap: number , seq1: string , seq2: string ): Promise { return await grok.functions.call('Bio:SequenceAlignment', { alignType, alignTable, gap, seq1, seq2 }); } /** WebLogo */ export async function webLogoViewer(): Promise { return await grok.functions.call('Bio:WebLogoViewer', {}); } /** V-Domain regions viewer */ export async function vdRegionsViewer(): Promise { return await grok.functions.call('Bio:VdRegionsViewer', {}); } /** Extracts a sub-region of each macromolecule sequence into a new column between the given start and end positions */ export async function getRegion(sequence: DG.Column , start?: string , end?: string , name?: string ): Promise { return await grok.functions.call('Bio:GetRegion', { sequence, start, end, name }); } /** Get sequences for a region specified from a Macromolecule */ export async function getRegionTopMenu(table: DG.DataFrame , sequence: DG.Column , start?: string , end?: string , name?: string ): Promise { return await grok.functions.call('Bio:GetRegionTopMenu', { table, sequence, start, end, name }); } /** Assigns antibody numbering (IMGT/Kabat/Chothia/AHo) */ export async function applyNumberingScheme(): Promise { return await grok.functions.call('Bio:ApplyNumberingScheme', {}); } /** Scans macromolecule sequences for deamidation, oxidation, and other liabilities */ export async function scanLiabilities(): Promise { return await grok.functions.call('Bio:ScanLiabilities', {}); } /** View and manage sequence annotations on macromolecule columns */ export async function manageAnnotations(): Promise { return await grok.functions.call('Bio:ManageAnnotations', {}); } /** Creates a new input for sequence columns with ability to extract a region */ export async function sequenceColumnInput(name: string , options: any ): Promise { return await grok.functions.call('Bio:SequenceColumnInput', { name, options }); } /** Detects pairs of molecules with similar structure and significant difference in any given property */ export async function activityCliffs(table: DG.DataFrame , molecules: string , activities: DG.Column , similarity: number , methodName: string , similarityMetric: string , preprocessingFunction: any , options?: any , demo?: boolean ): Promise { return await grok.functions.call('Bio:ActivityCliffs', { table, molecules, activities, similarity, methodName, similarityMetric, preprocessingFunction, options, demo }); } export async function seqActivityCliffsInitFunction(sp: any ): Promise { return await grok.functions.call('Bio:SeqActivityCliffsInitFunction', { sp }); } export async function seqActivityCliffsTransform(table: DG.DataFrame , molecules: DG.Column , activities: DG.Column , similarity: number , methodName: string , similarityMetric: string , options?: string , isDemo?: boolean , axesNames?: any ): Promise { return await grok.functions.call('Bio:SeqActivityCliffsTransform', { table, molecules, activities, similarity, methodName, similarityMetric, options, isDemo, axesNames }); } export async function macromoleculePreprocessingFunction(col: DG.Column , metric: string , gapOpen?: number , gapExtend?: number , fingerprintType?: string ): Promise { return await grok.functions.call('Bio:MacromoleculePreprocessingFunction', { col, metric, gapOpen, gapExtend, fingerprintType }); } export async function helmPreprocessingFunction(col: DG.Column , _metric: string ): Promise { return await grok.functions.call('Bio:HelmPreprocessingFunction', { col, _metric }); } /** Creates 2D sequence space with projected sequences by pairwise distance */ export async function sequenceSpaceTopMenu(table: DG.DataFrame , molecules: DG.Column , methodName: string , similarityMetric: string , plotEmbeddings: boolean , preprocessingFunction?: any , options?: any , clusterEmbeddings?: boolean , isDemo?: boolean ): Promise { return await grok.functions.call('Bio:SequenceSpaceTopMenu', { table, molecules, methodName, similarityMetric, plotEmbeddings, preprocessingFunction, options, clusterEmbeddings, isDemo }); } export async function sequenceSpaceTransform(table: DG.DataFrame , molecules: DG.Column , methodName: string , similarityMetric: string , plotEmbeddings: boolean , options?: string , clusterEmbeddings?: boolean , embedColsNames?: any , clusterColName?: string ): Promise { return await grok.functions.call('Bio:SequenceSpaceTransform', { table, molecules, methodName, similarityMetric, plotEmbeddings, options, clusterEmbeddings, embedColsNames, clusterColName }); } /** Converts Peptide molecules to HELM notation by matching with monomer library */ export async function moleculesToHelmTopMenu(table: DG.DataFrame , molecules: DG.Column ): Promise { return await grok.functions.call('Bio:MoleculesToHelmTopMenu', { table, molecules }); } /** Converts a single molecule to HELM notation without requiring a table or column */ export async function moleculeToHelmSingle(molecule: string ): Promise { return await grok.functions.call('Bio:MoleculeToHelmSingle', { molecule }); } /** Converts sequences to molblocks */ export async function toAtomicLevel(table: DG.DataFrame , seqCol: DG.Column , nonlinear: boolean , highlight: boolean ): Promise { return await grok.functions.call('Bio:ToAtomicLevel', { table, seqCol, nonlinear, highlight }); } export async function toAtomicLevelAction(seqCol: DG.Column ): Promise { return await grok.functions.call('Bio:ToAtomicLevelAction', { seqCol }); } export async function toAtomicLevelPanel(sequence: any ): Promise { return await grok.functions.call('Bio:ToAtomicLevelPanel', { sequence }); } /** Converts a single sequence to molblock */ export async function toAtomicLevelSingleSeq(sequence: string ): Promise { return await grok.functions.call('Bio:ToAtomicLevelSingleSeq', { sequence }); } export async function sequence3dStructureWidget(sequence: any ): Promise { return await grok.functions.call('Bio:Sequence3dStructureWidget', { sequence }); } /** Performs multiple sequence alignment */ export async function multipleSequenceAlignmentDialog(): Promise { return await grok.functions.call('Bio:MultipleSequenceAlignmentDialog', {}); } /** Aligns a set of macromolecule sequences adding a new aligned (gapped) sequence column */ export async function alignSequences(sequenceCol: DG.Column , clustersCol: DG.Column , options?: any ): Promise { return await grok.functions.call('Bio:AlignSequences', { sequenceCol, clustersCol, options }); } /** Aligns non-canonical peptide sequences using PepSeA Docker container (MAFFT) */ export async function pepseaMsa(sequenceCol: DG.Column , method: string , gapOpen: number , gapExtend: number ): Promise { return await grok.functions.call('Bio:PepseaMsa', { sequenceCol, method, gapOpen, gapExtend }); } /** Assigns antibody numbering (IMGT/Kabat) using the immunum WASM library */ export async function immunumAntibodyNumbering(df: DG.DataFrame , seqCol: DG.Column , scheme: string ): Promise { return await grok.functions.call('Bio:ImmunumAntibodyNumbering', { df, seqCol, scheme }); } /** Builds a MacromoleculeDifference column from two sequence columns (seq1#seq2) */ export async function compareSequences(): Promise { return await grok.functions.call('Bio:CompareSequences', {}); } /** Visualizes sequence composition on a WebLogo plot */ export async function compositionAnalysis(): Promise { return await grok.functions.call('Bio:CompositionAnalysis', {}); } /** Opens FASTA file */ export async function importFasta(fileContent: string ): Promise { return await grok.functions.call('Bio:ImportFasta', { fileContent }); } /** Opens Bam file */ export async function importBam(fileContent: string ): Promise { return await grok.functions.call('Bio:ImportBam', { fileContent }); } export async function convertDialog(): Promise { return await grok.functions.call('Bio:ConvertDialog', {}); } export async function convertColumnAction(col: DG.Column ): Promise { return await grok.functions.call('Bio:ConvertColumnAction', { col }); } export async function monomerCellRenderer(): Promise { return await grok.functions.call('Bio:MonomerCellRenderer', {}); } export async function testDetectMacromolecule(path: string ): Promise { return await grok.functions.call('Bio:TestDetectMacromolecule', { path }); } /** Splits a macromolecule column into per-position monomer columns one column per sequence position */ export async function splitToMonomersTopMenu(table: DG.DataFrame , sequence: DG.Column ): Promise { return await grok.functions.call('Bio:SplitToMonomersTopMenu', { table, sequence }); } export async function getHelmMonomers(sequence: DG.Column ): Promise { return await grok.functions.call('Bio:GetHelmMonomers', { sequence }); } export async function similaritySearchViewer(): Promise { return await grok.functions.call('Bio:SimilaritySearchViewer', {}); } /** Finds similar sequences */ export async function similaritySearchTopMenu(): Promise { return await grok.functions.call('Bio:SimilaritySearchTopMenu', {}); } export async function diversitySearchViewer(): Promise { return await grok.functions.call('Bio:DiversitySearchViewer', {}); } /** Finds the most diverse sequences */ export async function diversitySearchTopMenu(): Promise { return await grok.functions.call('Bio:DiversitySearchTopMenu', {}); } export async function searchSubsequenceEditor(call: any ): Promise { return await grok.functions.call('Bio:SearchSubsequenceEditor', { call }); } export async function subsequenceSearchTopMenu(macromolecules: DG.Column ): Promise { return await grok.functions.call('Bio:SubsequenceSearchTopMenu', { macromolecules }); } /** Adds a column with fraction of matching monomers */ export async function sequenceIdentityScoring(table: DG.DataFrame , macromolecule: DG.Column , reference: string ): Promise { return await grok.functions.call('Bio:SequenceIdentityScoring', { table, macromolecule, reference }); } /** Adds a column with similarity scores, calculated as sum of monomer fingerprint similarities */ export async function sequenceSimilarityScoring(table: DG.DataFrame , macromolecule: DG.Column , reference: string ): Promise { return await grok.functions.call('Bio:SequenceSimilarityScoring', { table, macromolecule, reference }); } /** Manage HELM monomer libraries */ export async function manageMonomerLibraries(): Promise { return await grok.functions.call('Bio:ManageMonomerLibraries', {}); } export async function manageLibrariesView(): Promise { return await grok.functions.call('Bio:ManageLibrariesView', {}); } /** Edit and create monomers */ export async function manageMonomersView(): Promise { return await grok.functions.call('Bio:ManageMonomersView', {}); } export async function manageMonomerLibrariesView(path?: string ): Promise { return await grok.functions.call('Bio:ManageMonomerLibrariesView', { path }); } export async function manageMonomerLibrariesViewTreeBrowser(treeNode: any ): Promise { return await grok.functions.call('Bio:ManageMonomerLibrariesViewTreeBrowser', { treeNode }); } export async function monomerCollectionsApp(): Promise { return await grok.functions.call('Bio:MonomerCollectionsApp', {}); } /** As FASTA... */ export async function saveAsFasta(): Promise { return await grok.functions.call('Bio:SaveAsFasta', {}); } /** Substructure filter for macromolecules */ export async function bioSubstructureFilter(): Promise { return await grok.functions.call('Bio:BioSubstructureFilter', {}); } /** Substructure filter for Helm package tests */ export async function bioSubstructureFilterTest(): Promise { return await grok.functions.call('Bio:BioSubstructureFilterTest', {}); } export async function webLogoLargeApp(): Promise { return await grok.functions.call('Bio:WebLogoLargeApp', {}); } export async function webLogoAggApp(): Promise { return await grok.functions.call('Bio:WebLogoAggApp', {}); } export async function getRegionApp(): Promise { return await grok.functions.call('Bio:GetRegionApp', {}); } export async function getRegionHelmApp(): Promise { return await grok.functions.call('Bio:GetRegionHelmApp', {}); } export async function longSeqTableSeparator(): Promise { return await grok.functions.call('Bio:LongSeqTableSeparator', {}); } export async function longSeqTableFasta(): Promise { return await grok.functions.call('Bio:LongSeqTableFasta', {}); } export async function longSeqTableHelm(): Promise { return await grok.functions.call('Bio:LongSeqTableHelm', {}); } export async function addCopyMenu(cell: any , menu: any ): Promise { return await grok.functions.call('Bio:AddCopyMenu', { cell, menu }); } /** Sequence similarity tracking and evaluation dataset diversity */ export async function demoBioSimilarityDiversity(): Promise { return await grok.functions.call('Bio:DemoBioSimilarityDiversity', {}); } /** Exploring sequence space of Macromolecules, comparison with hierarchical clustering results */ export async function demoBioSequenceSpace(): Promise { return await grok.functions.call('Bio:DemoBioSequenceSpace', {}); } /** Activity Cliffs analysis on Macromolecules data */ export async function demoBioActivityCliffs(): Promise { return await grok.functions.call('Bio:DemoBioActivityCliffs', {}); } /** Atomic level structure of Macromolecules */ export async function demoBioAtomicLevel(): Promise { return await grok.functions.call('Bio:DemoBioAtomicLevel', {}); } /** siRNA sequences, molecular structures, curves and assay data */ export async function demoBioSiRNA(): Promise { return await grok.functions.call('Bio:DemoBioSiRNA', {}); } export async function sdfToJsonLib(table: DG.DataFrame ): Promise { return await grok.functions.call('Bio:SdfToJsonLib', { table }); } /** Antibody sequences, numbering, liabilities, extraction and SAR */ export async function demoAntibodies(): Promise { return await grok.functions.call('Bio:DemoAntibodies', {}); } /** Converts a `Macromolecule` sequence to its atomic level `Molecule` representation */ export async function seq2atomic(seq: string , nonlinear: boolean ): Promise { return await grok.functions.call('Bio:Seq2atomic', { seq, nonlinear }); } /** Gets identity to a reference sequence */ export async function seqIdentity(seq: string , ref: string ): Promise { return await grok.functions.call('Bio:SeqIdentity', { seq, ref }); } export async function detectMacromoleculeProbe(file: DG.FileInfo , colName: string , probeCount: number ): Promise { return await grok.functions.call('Bio:DetectMacromoleculeProbe', { file, colName, probeCount }); } export async function getSeqHelper(): Promise { return await grok.functions.call('Bio:GetSeqHelper', {}); } /** Converts a column of HELM sequences to atomic-level molecules (V3000 molblocks) */ export async function getMolFromHelm(df: DG.DataFrame , helmCol: DG.Column , chiralityEngine: boolean ): Promise { return await grok.functions.call('Bio:GetMolFromHelm', { df, helmCol, chiralityEngine }); } }