import {PackageFunctions} from './package'; import * as DG from 'datagrok-api/dg'; //description: Returns an instance of the monomer library helper //output: object result export async function getMonomerLibHelper() : Promise { return await PackageFunctions.getMonomerLibHelper(); } //tags: init //meta.role: init export async function initBio() : Promise { await PackageFunctions.initBio(); } //tags: tooltip //input: column col { semType: Macromolecule } //output: widget result //meta.role: tooltip export function sequenceTooltip(col: DG.Column) : any { return PackageFunctions.sequenceTooltip(col); } //input: string library //output: string result export async function standardiseMonomerLibrary(library: string) : Promise { return await PackageFunctions.standardiseMonomerLibrary(library); } //description: Matches molecules in a column with monomers from the selected library(s) //input: dataframe table //input: column molecules { semType: Molecule } //input: string polymerType = 'PEPTIDE' { choices: ["PEPTIDE","RNA","CHEM"]; caption: Polymer Type } //top-menu: Bio | Manage | Match with Monomer Library... export async function matchWithMonomerLibrary(table: DG.DataFrame, molecules: DG.Column, polymerType: any) : Promise { await PackageFunctions.matchWithMonomerLibrary(table, molecules, polymerType); } //output: object monomerLib export function getBioLib() : any { return PackageFunctions.getBioLib(); } //input: column sequence { semType: Macromolecule } //output: object result export function getSeqHandler(sequence: DG.Column) : any { return PackageFunctions.getSeqHandler(sequence); } //name: Bioinformatics | Get Region //description: Creates a new column with sequences of the region between start and end //tags: panel //input: column seqCol { semType: Macromolecule } //output: widget result //meta.role: panel export function getRegionPanel(seqCol: DG.Column) : any { return PackageFunctions.getRegionPanel(seqCol); } //name: Bioinformatics | Manage Monomer Libraries //tags: exclude-actions-panel //input: column seqColumn { semType: Macromolecule } //output: widget result //meta.exclude-actions-panel: true //meta.role: panel export async function libraryPanel(_seqColumn: DG.Column) : Promise { return await PackageFunctions.libraryPanel(_seqColumn); } //input: funccall call //output: widget result //meta.role: editor export function GetRegionEditor(call: DG.FuncCall) : any { return PackageFunctions.GetRegionEditor(call); } //input: funccall call //output: widget result //meta.role: editor export function SequenceSpaceEditor(call: DG.FuncCall) : any { return PackageFunctions.SequenceSpaceEditor(call); } //input: funccall call //output: widget result //meta.role: editor export function SeqActivityCliffsEditor(call: DG.FuncCall) : any { return PackageFunctions.SeqActivityCliffsEditor(call); } //tags: cellRenderer //output: grid_cell_renderer result //meta.cellType: sequence //meta.columnTags: quality=Macromolecule, units=custom //meta.role: cellRenderer export function customSequenceCellRenderer() : any { return PackageFunctions.customSequenceCellRenderer(); } //tags: cellRenderer //output: grid_cell_renderer result //meta.cellType: sequence //meta.columnTags: quality=Macromolecule, units=fasta //meta.role: cellRenderer export function fastaSequenceCellRenderer() : any { return PackageFunctions.fastaSequenceCellRenderer(); } //tags: cellRenderer //output: grid_cell_renderer result //meta.cellType: sequence //meta.columnTags: quality=Macromolecule, units=separator //meta.role: cellRenderer export function separatorSequenceCellRenderer() : any { return PackageFunctions.separatorSequenceCellRenderer(); } //tags: cellRenderer //output: grid_cell_renderer result //meta.cellType: sequence //meta.columnTags: quality=Macromolecule, units=biln //meta.role: cellRenderer export function bilnSequenceCellRenderer() : any { return PackageFunctions.bilnSequenceCellRenderer(); } //tags: notationRefiner //input: column col //input: object stats //input: string separator { nullable: true; optional: true } //output: bool result //meta.role: notationRefiner export function refineNotationProviderForBiln(col: DG.Column, stats: any, separator: any) : boolean { return PackageFunctions.refineNotationProviderForBiln(col, stats, separator); } //name: Bioinformatics | Sequence Renderer //tags: panel //input: column molColumn { semType: Macromolecule } //output: widget result //meta.role: panel export function macroMolColumnPropertyPanel(molColumn: DG.Column) : any { return PackageFunctions.macroMolColumnPropertyPanel(molColumn); } //name: Composition analysis //tags: bio, widgets, panel //input: semantic_value sequence { semType: Macromolecule } //output: widget result //meta.role: widgets,panel //meta.domain: bio export function compositionAnalysisWidget(sequence: DG.SemanticValue) : any { return PackageFunctions.compositionAnalysisWidget(sequence); } //name: Monomer //tags: bio, panel //input: semantic_value monomerSv { semType: Monomer } //output: widget result //meta.domain: bio //meta.role: panel export function monomerInfoPanel(monomerSv: DG.SemanticValue) : any { return PackageFunctions.monomerInfoPanel(monomerSv); } //name: MacromoleculeDifferenceCellRenderer //tags: cellRenderer //output: grid_cell_renderer result //meta.cellType: MacromoleculeDifference //meta.columnTags: quality=MacromoleculeDifference //meta.role: cellRenderer export function macromoleculeDifferenceCellRenderer() : any { return PackageFunctions.macromoleculeDifferenceCellRenderer(); } //input: string alignType { choices: ["Local alignment","Global alignment"] } //input: string alignTable { choices: ["AUTO","NUCLEOTIDES","BLOSUM45","BLOSUM50","BLOSUM62","BLOSUM80","BLOSUM90","PAM30","PAM70","PAM250","SCHNEIDER","TRANS"] } //input: double gap //input: string seq1 //input: string seq2 //output: object result export function sequenceAlignment(alignType: string, alignTable: string, gap: number, seq1: string, seq2: string) { return PackageFunctions.sequenceAlignment(alignType, alignTable, gap, seq1, seq2); } //name: WebLogo //description: WebLogo //tags: viewer, panel //output: viewer result //meta.icon: files/icons/weblogo-viewer.svg //meta.role: viewer,panel export function webLogoViewer() { return PackageFunctions.webLogoViewer(); } //name: VdRegions //description: V-Domain regions viewer //tags: viewer //output: viewer result //meta.icon: files/icons/vdregions-viewer.svg //meta.role: viewer,panel export function vdRegionsViewer() { return PackageFunctions.vdRegionsViewer(); } //name: Get Region //description: Extracts a sub-region of each macromolecule sequence into a new column between the given start and end positions //input: column sequence //input: string start { optional: true; description: Start position name (inclusive) empty means the sequence start } //input: string end { optional: true; description: End position name (inclusive) empty means the sequence end } //input: string name { optional: true; description: Name of the column to be created } //output: column result export function getRegion(sequence: DG.Column, start?: string, end?: string, name?: string) : any { return PackageFunctions.getRegion(sequence, start, end, name); } //name: Get Sequence Region //description: Get sequences for a region specified from a Macromolecule //input: dataframe table { description: Input data table } //input: column sequence { semType: Macromolecule; description: Sequence column } //input: string start { optional: true; description: Region start position name } //input: string end { optional: true; description: Region end position name } //input: string name { optional: true; description: Region column name } //top-menu: Bio | Calculate | Extract Region... //editor: Bio:GetRegionEditor export async function getRegionTopMenu(table: DG.DataFrame, sequence: DG.Column, start?: string, end?: string, name?: string) : Promise { await PackageFunctions.getRegionTopMenu(table, sequence, start, end, name); } //name: Apply Numbering Scheme //description: Assigns antibody numbering (IMGT/Kabat/Chothia/AHo) //top-menu: Bio | Annotate | Apply Numbering Scheme... export function applyNumberingScheme() : void { PackageFunctions.applyNumberingScheme(); } //name: Scan Liabilities //description: Scans macromolecule sequences for deamidation, oxidation, and other liabilities //top-menu: Bio | Annotate | Scan Liabilities... export function scanLiabilities() : void { PackageFunctions.scanLiabilities(); } //name: Manage Annotations //description: View and manage sequence annotations on macromolecule columns //top-menu: Bio | Annotate | Manage Annotations... export function manageAnnotations() : void { PackageFunctions.manageAnnotations(); } //name: Sequence Column Input //description: Creates a new input for sequence columns with ability to extract a region //input: string name //input: dynamic options //output: dynamic result export function sequenceColumnInput(name: string, options: any) : any { return PackageFunctions.sequenceColumnInput(name, options); } //name: Sequence Activity Cliffs //description: Detects pairs of molecules with similar structure and significant difference in any given property //input: dataframe table { description: Input data table } //input: string molecules { semType: Macromolecule; description: Macromolecule sequence column } //input: column activities { description: Numeric activity column to look for cliffs in } //input: double similarity = 80 { description: Similarity cutoff } //input: string methodName { choices: ["UMAP","t-SNE"]; description: Dimensionality reduction method for the 2D projection } //input: string similarityMetric { choices: ["Hamming","Levenshtein","Monomer chemical distance"]; description: Sequence distance metric } //input: func preprocessingFunction //input: object options { optional: true } //input: bool demo { optional: true } //top-menu: Bio | Analyze | Activity Cliffs... //editor: Bio:SeqActivityCliffsEditor export async function activityCliffs(table: DG.DataFrame, molecules: DG.Column, activities: DG.Column, similarity: number, methodName: any, similarityMetric: any, preprocessingFunction: any, options?: any, demo?: boolean) : Promise { return await PackageFunctions.activityCliffs(table, molecules, activities, similarity, methodName, similarityMetric, preprocessingFunction, options, demo); } //input: viewer sp export async function seqActivityCliffsInitFunction(sp: any) : Promise { await PackageFunctions.seqActivityCliffsInitFunction(sp); } //input: dataframe table { description: Input data table } //input: column molecules { semType: Macromolecule } //input: column activities { type: numerical } //input: double similarity = 80 { description: Similarity cutoff } //input: string methodName //input: string similarityMetric //input: string options { optional: true } //input: bool isDemo { optional: true } //input: list axesNames { optional: true } //meta.role: transform export async function seqActivityCliffsTransform(table: DG.DataFrame, molecules: DG.Column, activities: DG.Column, similarity: number, methodName: any, similarityMetric: any, options?: string, isDemo?: boolean, axesNames?: string[]) : Promise { await PackageFunctions.seqActivityCliffsTransform(table, molecules, activities, similarity, methodName, similarityMetric, options, isDemo, axesNames); } //name: Encode Sequences //tags: dim-red-preprocessing-function //input: column col { semType: Macromolecule } //input: string metric //input: double gapOpen = 1 { caption: Gap open penalty; optional: true } //input: double gapExtend = 0.6 { caption: Gap extension penalty; optional: true } //input: string fingerprintType = 'Morgan' { caption: Fingerprint type; choices: ["Morgan","RDKit","Pattern","AtomPair","MACCS","TopologicalTorsion"]; optional: true } //output: object result //meta.supportedSemTypes: Macromolecule //meta.supportedTypes: string //meta.supportedDistanceFunctions: Hamming,Levenshtein,Monomer chemical distance,Needlemann-Wunsch //meta.role: dim-red-preprocessing-function export async function macromoleculePreprocessingFunction(col: DG.Column, metric: any, gapOpen: number, gapExtend: number, fingerprintType: string) : Promise { return await PackageFunctions.macromoleculePreprocessingFunction(col, metric, gapOpen, gapExtend, fingerprintType); } //name: Helm Fingerprints //input: column col { semType: Macromolecule } //input: string _metric //output: object result //meta.supportedSemTypes: Macromolecule //meta.supportedTypes: string //meta.supportedUnits: helm //meta.supportedDistanceFunctions: Tanimoto,Asymmetric,Cosine,Sokal export async function helmPreprocessingFunction(col: DG.Column, _metric: any) : Promise { return await PackageFunctions.helmPreprocessingFunction(col, _metric); } //name: Sequence Space //description: Creates 2D sequence space with projected sequences by pairwise distance //input: dataframe table //input: column molecules { semType: Macromolecule } //input: string methodName { choices: ["UMAP","t-SNE"] } //input: string similarityMetric { choices: ["Hamming","Levenshtein","Monomer chemical distance"] } //input: bool plotEmbeddings = true //input: func preprocessingFunction { optional: true } //input: object options { optional: true } //input: bool clusterEmbeddings = true { optional: true } //input: bool isDemo { optional: true } //output: viewer result //top-menu: Bio | Analyze | Sequence Space... //editor: Bio:SequenceSpaceEditor export async function sequenceSpaceTopMenu(table: DG.DataFrame, molecules: DG.Column, methodName: any, similarityMetric: any, plotEmbeddings: boolean, preprocessingFunction?: any, options?: any, clusterEmbeddings?: boolean, isDemo?: boolean) : Promise { return await PackageFunctions.sequenceSpaceTopMenu(table, molecules, methodName, similarityMetric, plotEmbeddings, preprocessingFunction, options, clusterEmbeddings, isDemo); } //input: dataframe table //input: column molecules { semType: Macromolecule } //input: string methodName //input: string similarityMetric //input: bool plotEmbeddings = true //input: string options { optional: true } //input: bool clusterEmbeddings { optional: true } //input: list embedColsNames { optional: true } //input: string clusterColName { optional: true } //output: viewer result //meta.role: transform export async function sequenceSpaceTransform(table: DG.DataFrame, molecules: DG.Column, methodName: any, similarityMetric: any, plotEmbeddings: boolean, options?: string, clusterEmbeddings?: boolean, embedColsNames?: string[], clusterColName?: string) : Promise { return await PackageFunctions.sequenceSpaceTransform(table, molecules, methodName, similarityMetric, plotEmbeddings, options, clusterEmbeddings, embedColsNames, clusterColName); } //name: Molecules to HELM //description: Converts Peptide molecules to HELM notation by matching with monomer library //input: dataframe table { description: Input data table } //input: column molecules { semType: Molecule; description: Molecule column } //top-menu: Bio | Transform | Molecules to HELM... export async function moleculesToHelmTopMenu(table: DG.DataFrame, molecules: DG.Column) : Promise { await PackageFunctions.moleculesToHelmTopMenu(table, molecules); } //name: Molecule to HELM Single //description: Converts a single molecule to HELM notation without requiring a table or column //input: string molecule { semType: Molecule; description: Input molecule } //output: string result { semType: Macromolecule; units: helm } export async function moleculeToHelmSingle(molecule: string) : Promise { return await PackageFunctions.moleculeToHelmSingle(molecule); } //name: To Atomic Level //description: Converts sequences to molblocks //input: dataframe table { description: Input data table } //input: column seqCol { semType: Macromolecule; caption: Sequence } //input: bool nonlinear = true { caption: Non-linear; description: Slower mode for cycling/branching HELM structures } //input: bool highlight = false { caption: Highlight monomers; description: Highlight monomers' substructures of the molecule } //top-menu: Bio | Transform | To Atomic Level... export async function toAtomicLevel(table: DG.DataFrame, seqCol: DG.Column, nonlinear: boolean, highlight: boolean) : Promise { await PackageFunctions.toAtomicLevel(table, seqCol, nonlinear, highlight); } //name: To Atomic Level... //input: column seqCol { semType: Macromolecule } //meta.action: to atomic level export async function toAtomicLevelAction(seqCol: DG.Column) : Promise { await PackageFunctions.toAtomicLevelAction(seqCol); } //name: Molecular Structure //tags: bio, widgets, panel //input: semantic_value sequence { semType: Macromolecule } //output: widget result //meta.role: widgets,panel //meta.domain: bio export async function toAtomicLevelPanel(sequence: DG.SemanticValue) : Promise { return await PackageFunctions.toAtomicLevelPanel(sequence); } //name: To Atomic Level Single sequence //description: Converts a single sequence to molblock //input: string sequence { semType: Macromolecule } //output: string molfile { semType: Molecule } export async function toAtomicLevelSingleSeq(sequence: string) : Promise { return await PackageFunctions.toAtomicLevelSingleSeq(sequence); } //name: Molecular 3D Structure //tags: bio, widgets, panel //input: semantic_value sequence { semType: Macromolecule } //output: widget result //meta.role: widgets,panel //meta.domain: bio export async function sequence3dStructureWidget(sequence: DG.SemanticValue) : Promise { return await PackageFunctions.sequence3dStructureWidget(sequence); } //name: MSA //description: Performs multiple sequence alignment //tags: bio, panel //meta.domain: bio //meta.role: panel //top-menu: Bio | Analyze | MSA... export function multipleSequenceAlignmentDialog() : void { PackageFunctions.multipleSequenceAlignmentDialog(); } //name: Multiple Sequence Alignment //description: Aligns a set of macromolecule sequences adding a new aligned (gapped) sequence column //input: column sequenceCol { semType: Macromolecule } //input: column clustersCol { description: Optional cluster column sequences are aligned separately within each cluster } //input: object options { optional: true; description: Alignment options (engine method gap penalties selected-rows-only etc.) } //output: column result //meta.domain: bio export async function alignSequences(sequenceCol: any, clustersCol: any, options?: any) : Promise { return await PackageFunctions.alignSequences(sequenceCol, clustersCol, options); } //name: PepSeA //description: Aligns non-canonical peptide sequences using PepSeA Docker container (MAFFT) //input: column sequenceCol { semType: Macromolecule } //input: string method = 'mafft --auto' { choices: ["mafft --auto","mafft","linsi","ginsi","einsi","fftns","fftnsi","nwns","nwnsi"]; description: MAFFT alignment strategy } //input: double gapOpen = 1.53 { description: Gap opening penalty } //input: double gapExtend = 0 { description: Gap extension penalty } //output: column result //meta.role: sequenceMSA export async function pepseaMsa(sequenceCol: DG.Column, method: string, gapOpen: number, gapExtend: number) : Promise { return await PackageFunctions.pepseaMsa(sequenceCol, method, gapOpen, gapExtend); } //name: Immunum //description: Assigns antibody numbering (IMGT/Kabat) using the immunum WASM library //input: dataframe df //input: column seqCol { semType: Macromolecule } //input: string scheme = 'imgt' { choices: ["imgt","kabat"] } //output: dataframe result //meta.role: antibodyNumbering export async function immunumAntibodyNumbering(df: DG.DataFrame, seqCol: DG.Column, scheme: string) : Promise { return await PackageFunctions.immunumAntibodyNumbering(df, seqCol, scheme); } //name: Compare Sequences //description: Builds a MacromoleculeDifference column from two sequence columns (seq1#seq2) //top-menu: Bio | Analyze | Compare sequences... export function compareSequences() : void { PackageFunctions.compareSequences(); } //name: Composition Analysis //description: Visualizes sequence composition on a WebLogo plot //output: viewer result //meta.icon: files/icons/composition-analysis.svg //top-menu: Bio | Analyze | Composition export async function compositionAnalysis() { return await PackageFunctions.compositionAnalysis(); } //description: Opens FASTA file //tags: fileHandler //input: string fileContent //output: list result //meta.role: fileHandler //meta.ext: fasta, fna, ffn, faa, frn, fa, fst export function importFasta(fileContent: string) : any { return PackageFunctions.importFasta(fileContent); } //description: Opens Bam file //tags: fileHandler //input: string fileContent //output: list result //meta.role: fileHandler //meta.ext: bam, bai export function importBam(fileContent: string) : any { return PackageFunctions.importBam(fileContent); } //top-menu: Bio | Transform | Convert Sequence Notation... export function convertDialog() : void { PackageFunctions.convertDialog(); } //name: Convert Notation... //input: column col { semType: Macromolecule } //meta.action: Convert Notation... export function convertColumnAction(col: DG.Column) : void { PackageFunctions.convertColumnAction(col); } //tags: cellRenderer //output: grid_cell_renderer result //meta.cellType: Monomer //meta.columnTags: quality=Monomer //meta.role: cellRenderer export function monomerCellRenderer() : any { return PackageFunctions.monomerCellRenderer(); } //input: string path { choices: ["Demo:Files/","System:AppData/"] } //output: dataframe result export async function testDetectMacromolecule(path: string) : Promise { return await PackageFunctions.testDetectMacromolecule(path); } //name: Split to Monomers //description: Splits a macromolecule column into per-position monomer columns one column per sequence position //input: dataframe table //input: column sequence { semType: Macromolecule } //output: dataframe result //top-menu: Bio | Transform | Split to Monomers... export async function splitToMonomersTopMenu(table: DG.DataFrame, sequence: DG.Column) : Promise { return await PackageFunctions.splitToMonomersTopMenu(table, sequence); } //name: Bio: getHelmMonomers //input: column sequence { semType: Macromolecule } //output: object result export function getHelmMonomers(sequence: DG.Column) : string[] { return PackageFunctions.getHelmMonomers(sequence); } //name: Sequence Similarity Search //tags: viewer //output: viewer result //meta.icon: files/icons/sequence-similarity-viewer.svg //meta.role: viewer export function similaritySearchViewer() : any { return PackageFunctions.similaritySearchViewer(); } //name: similaritySearch //description: Finds similar sequences //output: viewer result //top-menu: Bio | Search | Similarity Search export function similaritySearchTopMenu() { return PackageFunctions.similaritySearchTopMenu(); } //name: Sequence Diversity Search //tags: viewer //output: viewer result //meta.icon: files/icons/sequence-diversity-viewer.svg //meta.role: viewer export function diversitySearchViewer() : any { return PackageFunctions.diversitySearchViewer(); } //name: diversitySearch //description: Finds the most diverse sequences //output: viewer result //top-menu: Bio | Search | Diversity Search export function diversitySearchTopMenu() { return PackageFunctions.diversitySearchTopMenu(); } //name: SearchSubsequenceEditor //tags: editor //input: funccall call //meta.role: editor export function searchSubsequenceEditor(call: DG.FuncCall) : void { PackageFunctions.searchSubsequenceEditor(call); } //name: Subsequence Search //input: column macromolecules //top-menu: Bio | Search | Subsequence Search ... //editor: Bio:SearchSubsequenceEditor export function SubsequenceSearchTopMenu(macromolecules: DG.Column) : void { PackageFunctions.SubsequenceSearchTopMenu(macromolecules); } //name: Identity //description: Adds a column with fraction of matching monomers //input: dataframe table { description: Table containing Macromolecule column } //input: column macromolecule { semType: Macromolecule; description: Sequences to score } //input: string reference { description: Sequence,matching column format } //output: column result //top-menu: Bio | Calculate | Identity... export async function sequenceIdentityScoring(table: DG.DataFrame, macromolecule: DG.Column, reference: string) : Promise { return await PackageFunctions.sequenceIdentityScoring(table, macromolecule, reference); } //name: Similarity //description: Adds a column with similarity scores, calculated as sum of monomer fingerprint similarities //input: dataframe table { description: Table containing Macromolecule column } //input: column macromolecule { semType: Macromolecule; description: Sequences to score } //input: string reference { description: Sequence,matching column format } //output: column result //top-menu: Bio | Calculate | Similarity... export async function sequenceSimilarityScoring(table: DG.DataFrame, macromolecule: DG.Column, reference: string) : Promise { return await PackageFunctions.sequenceSimilarityScoring(table, macromolecule, reference); } //name: Manage Monomer Libraries //description: Manage HELM monomer libraries export async function manageMonomerLibraries() : Promise { await PackageFunctions.manageMonomerLibraries(); } //name: Manage Monomer Libraries View //top-menu: Bio | Manage | Monomer Libraries export async function manageLibrariesView() : Promise { await PackageFunctions.manageLibrariesView(); } //description: Edit and create monomers //top-menu: Bio | Manage | Monomers export async function manageMonomersView() : Promise { await PackageFunctions.manageMonomersView(); } //name: Manage Monomer Libraries //tags: app //input: string path { meta.url: true; optional: true } //output: view result //meta.role: app //meta.browsePath: Peptides //meta.icon: files/icons/monomers.png export async function manageMonomerLibrariesView(path?: string) : Promise { return await PackageFunctions.manageMonomerLibrariesView(path); } //name: Monomer Manager Tree Browser //input: dynamic treeNode //meta.role: appTreeBrowser //meta.app: Manage Monomer Libraries export async function manageMonomerLibrariesViewTreeBrowser(treeNode: any) : Promise { await PackageFunctions.manageMonomerLibrariesViewTreeBrowser(treeNode); } //name: Monomer Collections //tags: app //output: view result //meta.role: app //meta.browsePath: Peptides //meta.icon: files/icons/monomers.png export async function monomerCollectionsApp() : Promise { return await PackageFunctions.monomerCollectionsApp(); } //description: As FASTA... //meta.role: fileExporter export function saveAsFasta() : void { PackageFunctions.saveAsFasta(); } //name: Bio Substructure Filter //description: Substructure filter for macromolecules //tags: filter //output: filter result //meta.semType: Macromolecule //meta.role: filter export function bioSubstructureFilter() : any { return PackageFunctions.bioSubstructureFilter(); } //name: Bio Substructure Filter Test //description: Substructure filter for Helm package tests //output: object result export function bioSubstructureFilterTest() : any { return PackageFunctions.bioSubstructureFilterTest(); } //name: webLogoLargeApp export async function webLogoLargeApp() : Promise { await PackageFunctions.webLogoLargeApp(); } //name: webLogoAggApp export async function webLogoAggApp() : Promise { await PackageFunctions.webLogoAggApp(); } //name: getRegionApp export async function getRegionApp() : Promise { await PackageFunctions.getRegionApp(); } //name: getRegionHelmApp export async function getRegionHelmApp() : Promise { await PackageFunctions.getRegionHelmApp(); } //name: longSeqTableSeparator export function longSeqTableSeparator() : void { PackageFunctions.longSeqTableSeparator(); } //name: longSeqTableFasta export function longSeqTableFasta() : void { PackageFunctions.longSeqTableFasta(); } //name: longSeqTableHelm export function longSeqTableHelm() : void { PackageFunctions.longSeqTableHelm(); } //input: object cell //input: object menu export function addCopyMenu(cell: any, menu: any) : void { PackageFunctions.addCopyMenu(cell, menu); } //description: Sequence similarity tracking and evaluation dataset diversity //meta.demoPath: Bioinformatics | Similarity, Diversity //meta.path: /apps/Tutorials/Demo/Bioinformatics/Similarity,%20Diversity export async function demoBioSimilarityDiversity() : Promise { await PackageFunctions.demoBioSimilarityDiversity(); } //description: Exploring sequence space of Macromolecules, comparison with hierarchical clustering results //meta.isDemoDashboard: true //meta.demoPath: Bioinformatics | Sequence Space //meta.path: /apps/Tutorials/Demo/Bioinformatics/Sequence%20Space export async function demoBioSequenceSpace() : Promise { await PackageFunctions.demoBioSequenceSpace(); } //description: Activity Cliffs analysis on Macromolecules data //meta.demoPath: Bioinformatics | Sequence Activity Cliffs //meta.path: /apps/Tutorials/Demo/Bioinformatics/Activity%20Cliffs export async function demoBioActivityCliffs() : Promise { await PackageFunctions.demoBioActivityCliffs(); } //description: Atomic level structure of Macromolecules //meta.demoSkip: true //meta.demoPath: Bioinformatics | Atomic Level //meta.path: /apps/Tutorials/Demo/Bioinformatics/Atomic%20Level export async function demoBioAtomicLevel() : Promise { await PackageFunctions.demoBioAtomicLevel(); } //description: siRNA sequences, molecular structures, curves and assay data //meta.demoSkip: true //meta.demoPath: Bioinformatics | siRNA //meta.path: /apps/Tutorials/Demo/Bioinformatics/siRNA export async function demoBioSiRNA() : Promise { await PackageFunctions.demoBioSiRNA(); } //name: SDF to JSON Library //input: dataframe table export async function sdfToJsonLib(table: DG.DataFrame) : Promise { await PackageFunctions.sdfToJsonLib(table); } //description: Antibody sequences, numbering, liabilities, extraction and SAR //meta.demoPath: Bioinformatics | Antibodies //meta.path: /apps/Tutorials/Demo/Bioinformatics/Antibodies export async function demoAntibodies() : Promise { await PackageFunctions.demoAntibodies(); } //description: Converts a `Macromolecule` sequence to its atomic level `Molecule` representation //input: string seq { semType: Macromolecule } //input: bool nonlinear //output: string molfile { semType: Molecule } //friendlyName: seq2atomic export async function seq2atomic(seq: string, nonlinear: boolean) : Promise { return await PackageFunctions.seq2atomic(seq, nonlinear); } //description: Gets identity to a reference sequence //input: string seq { semType: Macromolecule } //input: string ref { semType: Macromolecule } //output: double result //friendlyName: seqIdentity export async function seqIdentity(seq: string, ref: string) : Promise { return await PackageFunctions.seqIdentity(seq, ref); } //input: file file //input: string colName //input: double probeCount = 100 export async function detectMacromoleculeProbe(file: DG.FileInfo, colName: string, probeCount: number) : Promise { await PackageFunctions.detectMacromoleculeProbe(file, colName, probeCount); } //output: object result export async function getSeqHelper() : Promise { return await PackageFunctions.getSeqHelper(); } //name: HELM to Molecule //description: Converts a column of HELM sequences to atomic-level molecules (V3000 molblocks) //input: dataframe df //input: column helmCol { semType: Macromolecule; description: Column of HELM sequences to convert } //input: bool chiralityEngine = true { description: Preserve monomer stereochemistry using the chirality engine } //output: column result export async function getMolFromHelm(df: DG.DataFrame, helmCol: DG.Column, chiralityEngine: boolean) : Promise { return await PackageFunctions.getMolFromHelm(df, helmCol, chiralityEngine); }