├── .gitignore ├── .vscode └── tasks.json ├── README.md ├── dist ├── dist │ ├── index-src.d.ts │ └── index-val.d.ts ├── index-src.ts ├── index-val.ts ├── webmolkit-validate.js ├── webmolkit-validate.js.map ├── webmolkit.js └── webmolkit.js.map ├── lint ├── package.json ├── prepack.sh ├── publish.sh ├── res ├── data │ ├── ontology │ │ └── units.onto │ └── templates │ │ ├── aminoacids.ds │ │ ├── biomolecules.ds │ │ ├── cagecmplx.ds │ │ ├── crownethers.ds │ │ ├── funcgrp.ds │ │ ├── largerings.ds │ │ ├── ligbident.ds │ │ ├── ligmonodent.ds │ │ ├── ligmultident.ds │ │ ├── ligtrident.ds │ │ ├── nonplrings.ds │ │ ├── protgrp.ds │ │ ├── rings.ds │ │ ├── saccharides.ds │ │ └── termgrp.ds └── img │ └── actions │ ├── AtomAbbrev.svg │ ├── AtomClearAbbrev.svg │ ├── AtomDBlock.svg │ ├── AtomExpandAbbrev.svg │ ├── AtomFBlock.svg │ ├── AtomFormula.svg │ ├── AtomInline.svg │ ├── AtomMinus.svg │ ├── AtomNoble.svg │ ├── AtomPBlock.svg │ ├── AtomPeriodic.svg │ ├── AtomPlus.svg │ ├── AtomSBlock.svg │ ├── BondAddTwo.svg │ ├── BondArtifactArene.svg │ ├── BondArtifactClear.svg │ ├── BondArtifactPath.svg │ ├── BondArtifactRing.svg │ ├── BondBandaid.svg │ ├── BondConnect.svg │ ├── BondDisconnect.svg │ ├── BondDown.svg │ ├── BondFour.svg │ ├── BondInsert.svg │ ├── BondLinear.svg │ ├── BondMetalLigate.svg │ ├── BondOcta1.svg │ ├── BondOcta2.svg │ ├── BondOne.svg │ ├── BondPolymer.svg │ ├── BondQAny.svg │ ├── BondRotate.svg │ ├── BondSqPlan.svg │ ├── BondSquig.svg │ ├── BondSwitch.svg │ ├── BondTetra1.svg │ ├── BondTetra2.svg │ ├── BondThree.svg │ ├── BondTrigonal.svg │ ├── BondTwo.svg │ ├── BondUp.svg │ ├── BondZero.svg │ ├── ContextSmallRings.svg │ ├── GenericAccept.svg │ ├── GenericBack.svg │ ├── GenericFullscreen.svg │ ├── GenericHelp.svg │ ├── GenericNothing.svg │ ├── GenericReject.svg │ ├── MainAtom.svg │ ├── MainBond.svg │ ├── MainCopy.svg │ ├── MainCut.svg │ ├── MainDelete.svg │ ├── MainEdit.svg │ ├── MainInterop.svg │ ├── MainMove.svg │ ├── MainNew.svg │ ├── MainPaste.svg │ ├── MainRedo.svg │ ├── MainSelAll.svg │ ├── MainSelNext.svg │ ├── MainSelNone.svg │ ├── MainSelPrev.svg │ ├── MainSelSide.svg │ ├── MainSelect.svg │ ├── MainTemplate.svg │ ├── MainUndo.svg │ ├── MainView.svg │ ├── MainZoomFit.svg │ ├── MainZoomIn.svg │ ├── MainZoomOut.svg │ ├── MoveDown.svg │ ├── MoveDownFar.svg │ ├── MoveDownLots.svg │ ├── MoveGrow.svg │ ├── MoveHFlip.svg │ ├── MoveJoin.svg │ ├── MoveLeft.svg │ ├── MoveLeftFar.svg │ ├── MoveLeftLots.svg │ ├── MoveRight.svg │ ├── MoveRightFar.svg │ ├── MoveRightLots.svg │ ├── MoveRotM01.svg │ ├── MoveRotM05.svg │ ├── MoveRotM15.svg │ ├── MoveRotM30.svg │ ├── MoveRotP01.svg │ ├── MoveRotP05.svg │ ├── MoveRotP15.svg │ ├── MoveRotP30.svg │ ├── MoveShrink.svg │ ├── MoveUp.svg │ ├── MoveUpFar.svg │ ├── MoveUpLots.svg │ ├── MoveVFlip.svg │ ├── ReactionAddProduct.svg │ ├── ReactionAddReactant.svg │ ├── ReactionAddReagent.svg │ ├── ReactionAddStep.svg │ ├── ReactionByproduct.svg │ ├── ReactionCatalyst.svg │ ├── ReactionMapping.svg │ ├── ReactionReagent.svg │ ├── ReactionRename.svg │ ├── ReactionSolvent.svg │ ├── ReactionStoich.svg │ ├── SelectionChain.svg │ ├── SelectionCurElement.svg │ ├── SelectionGrow.svg │ ├── SelectionRingBlk.svg │ ├── SelectionShrink.svg │ ├── SelectionSmRing.svg │ ├── SelectionToggle.svg │ ├── SelectionUncurrent.svg │ ├── TemplateAdd.svg │ ├── TemplateNext.svg │ ├── TemplatePrev.svg │ ├── ToolArom.svg │ ├── ToolDrag.svg │ ├── ToolErasor.svg │ ├── ToolPan.svg │ ├── ToolRing.svg │ ├── ToolRotate.svg │ └── ToolSelect.svg ├── run_server ├── scratch └── deprecated │ ├── Download.ts │ ├── PickRecent.ts │ ├── RowView.ts │ ├── SearchMolecules.ts │ ├── SearchPanel.ts │ ├── SearchReactions.ts │ ├── ViewStructure.ts │ └── rpc │ ├── Account.ts │ ├── Func.ts │ ├── Pile.ts │ ├── RPC.ts │ └── Search.ts ├── src ├── .eslintrc.js ├── aspect │ ├── Aspect.ts │ ├── AspectList.ts │ ├── AssayProvenance.ts │ ├── BayesianPrediction.ts │ ├── BayesianSource.ts │ ├── BinaryData.ts │ ├── Experiment.ts │ ├── MeasurementData.ts │ ├── Mixture.ts │ └── SARTable.ts ├── calc │ ├── BayesianModel.ts │ ├── BuildSMILES.ts │ ├── CircularFingerprints.ts │ └── ResonanceRemover.ts ├── data │ ├── AbbrevContainer.ts │ ├── FormatList.ts │ └── OntologyTree.ts ├── dialog │ ├── Dialog.ts │ └── EditCompound.ts ├── ds │ └── DataSheet.ts ├── env.d.ts ├── gfx │ ├── ArrangeExperiment.ts │ ├── ArrangeMeasurement.ts │ ├── ArrangeMolecule.ts │ ├── AxisLabeller.ts │ ├── DrawExperiment.ts │ ├── DrawMolecule.ts │ ├── FontData.ts │ ├── MetaVector.ts │ └── Rendering.ts ├── io │ ├── DataSheetStream.ts │ ├── MDLReader.ts │ ├── MDLWriter.ts │ └── MoleculeStream.ts ├── mol │ ├── BondArtifact.ts │ ├── Chemistry.ts │ ├── CoordUtil.ts │ ├── DotPath.ts │ ├── ForeignMolecule.ts │ ├── Graph.ts │ ├── MetaMolecule.ts │ ├── MolUtil.ts │ ├── Molecule.ts │ ├── PolymerBlock.ts │ ├── PseudoEmbedding.ts │ ├── QueryUtil.ts │ ├── SketchUtil.ts │ ├── StereoGroup.ts │ └── Stereochemistry.ts ├── rxn │ ├── ExperimentMeta.ts │ └── QuantityCalc.ts ├── sketcher │ ├── CommandBank.ts │ ├── ContextSketch.ts │ ├── DrawCanvas.ts │ ├── EditAtom.ts │ ├── EditBond.ts │ ├── EditPolymer.ts │ ├── ExtraFieldsWidget.ts │ ├── GeomWidget.ts │ ├── MetalLigate.ts │ ├── MoleculeActivity.ts │ ├── PeriodicTableWidget.ts │ ├── QueryFieldsWidget.ts │ ├── Sketcher.ts │ ├── TemplateBank.ts │ ├── TemplateFusion.ts │ └── ToolBank.ts ├── ui │ ├── ButtonBank.ts │ ├── ButtonView.ts │ ├── ClipboardProxy.ts │ ├── EmbedChemistry.ts │ ├── EmbedCollection.ts │ ├── EmbedMolecule.ts │ ├── EmbedReaction.ts │ ├── MenuProxy.ts │ ├── OptionList.ts │ ├── Popup.ts │ ├── TabBar.ts │ ├── Tooltip.ts │ ├── WebMenu.ts │ └── Widget.ts └── util │ ├── FitRotatedEllipse.ts │ ├── Geom.ts │ ├── Matrix.ts │ ├── Random.ts │ ├── Theme.ts │ ├── Triangulation2D.ts │ ├── Vec.ts │ ├── XML.ts │ ├── dom.ts │ └── util.ts ├── tools └── relativise.js ├── tsconfig.json ├── tslint.json ├── val ├── data │ ├── circular.ds │ ├── datasheet.ds │ ├── datasheet.sdf │ ├── experiment.ds │ 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