The renderer Discngine Molecule Renderer can be used to display small molecules of various chemical formats in an atom-bond representation in all Spotfire visualization types.
Supported formats
Several chemical formats can be rendered using the Discngine Molecule Renderer. To have this renderer available in the Spotfire interface, the corresponding column must have the appropriate content-type.
The supported formats and content-types are listed below:
- Molfile
- chemical/x-mdl-sdfile
- chemical/x-mdl-molfile
- chemical/mdl-molfile-v3000
- chemical/x-mdl-molfile-v3000
- mol
- Smiles
- chemical/x-daylight-smiles
- chemical/smiles
- chemical/x-smiles
- smiles
- InChI
- chemical/x-inchi
Renderer Settings
It is possible to customize the rendering of small molecules by changing the renderer settings from Spotfire interface:
General
In this section, you have common settings for the rendering of small molecules.
- Transparent background: apply transparent background or white background to images
- Bonds width: the width of the bonds
- Show stereo annotations: to display or not stereochemistry annotations
- Show Sgroups (V2000 only): to display or not the Sgroups brackets in V2000 format
NB: Sgroups can be displayed in V3000 format, depending on the RDKit supported features, but this option only gives possibiliy to hide Sgroups defined in V2000 format.
Highlights (atoms and bonds)
If a column contains a Molfile V3000 with highlight information, it can be displayed.
- Show highlights: to display or not the highlights
- Default highlight color: the color of the highlights
- Default opacity: the opacity of the highlights
