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 |