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Components

A component is one kind of node you can put on the canvas. There are nineteen, in three families, and the family decides both where you find it in the toolbar and what colour its title bar is.

Family Colour
Data components Blue 4 Where data comes from, and how it is reshaped before anything draws it
Chart components Purple 8 Points, bars, boxes and densities
Molecular components Green 7 Views that draw structures rather than points

What every drawing component has in common

Its fields are set on the node, in the Design tab — the X axis, the structure column, the field to colour by. A field marked * is required.

Everything else is set on the panel, in a view tab, behind its ⚙ — scales, ranges, binning, colours, tooltips. The same node can therefore be on a log scale in one view and a linear one in another. How these settings work, and how they relate to the application’s Defaults and Presets, is under Settings; what each component’s ⚙ offers is in that component’s own section.

A selection travels. Drag over a chart to select rows; the count appears in its status bar, and the selection leaves the node through its selection output to whatever you wired it to. Where two components mean different things by “a selection” — the interaction diagram reports the ligand you have navigated to rather than something you dragged over — the component’s own section says so.

Most panels export. The ↓ on the panel’s title bar offers PNG and SVG for the charts, PNG for the 3D viewer, and PNG or SDF for the molecule grid.

The catalogue

Component Family Draws
Dataset Data — reads a file from the project
Data Joiner Data — merges datasets on a key column
Calculated Fields Data — adds columns worked out per row
FileSelector Data — supplies structure files
ScatterPlot Chart X against Y, one point per row
FacetScatterPlot Chart A grid of small scatter plots split by two fields
MultiFieldScatterPlot Chart A grid of scatter plots, one per field pair
IntegerScatterPlot Chart Whole-number pairs, sized by how many rows share each
Histogram Chart The distribution of one field
ParallelCoords Chart One line per row across several axes
BinnedBoxPlot Chart Box plots of one field within bins of another
HexbinPlot Chart Density, as coloured hexagons
MoleculeSketcher Molecular A structure editor — draws a query or a scaffold
MoleculeCardGrid Molecular A paginated grid of 2D depictions
RGroupTable Molecular A series laid out by what varies around a core
MoleculeViewer3D Molecular Ligands and proteins in 3D
MutationShells Molecular A series arranged by structural distance from an anchor
LigandInteractionMap Molecular Ligand × residue contacts, as a grid
LigandInteractionDiagram Molecular One ligand’s contacts, as a flat diagram