Creates an SVG column showing a molecule with highlighted atoms and bonds based on information in the input table. A molecule column as well as column(s) with a list of the atom and/or bond indexes to be highlighted needs to be provided. The node lets the user define colors to be applied for the highlighting. If highlighting definitions overlap (e.g. atom indexes in definition 1 is 1,2,3 and in definition 2 is 3,4,5) the highlighting of the first definition will be applied (e.g to atom 3) with the color it defined.
Options
Highlighting
Popular Successors
- Column Filter15 %
- RDKit R-Group Decomposition7 %
- Loop End6 %
- RDKit Molecule to SVG5 %
- Renderer to Image4 %
Python Script (1⇒1)4 %- RDKit Interactive Table4 %
Image Writer (Table Column)4 %- Constant Value Column3 %
- Interactive Table (legacy)3 %
Loop End3 %- Table View (JavaScript)3 %
- Row Filter3 %
- RDKit SMILES Headers3 %
- RDKit Canon SMILES2 %
- RDKit Substructure Filter2 %
- Timer Info2 %
Concatenate (Optional in)1 %- RDKit R-Group Decomposition (deprecated)1 %
- MarvinView1 %
- Partitioning1 %
- RDKit Molecule Highlighting1 %
- Set To List1 %
- Column Resorter< 1 %
- GroupBy< 1 %
- CDK to Molecule< 1 %
- Highlighter< 1 %
Table Writer< 1 %- Linear Regression Learner< 1 %
- Concatenate< 1 %
- String to SVG< 1 %
- Reference Row Filter< 1 %
Column Rename< 1 %- SDF Writer< 1 %
Excel Sheet Appender (XLS)< 1 %Excel Writer (XLS)< 1 %- RDKit Chemical Transformation< 1 %
- RDKit Descriptor Calculation< 1 %
- RDKit From Molecule< 1 %
RDKit Structure Normalizer< 1 %- Molecule-to-MAE< 1 %
- Split Collection Column< 1 %
Joiner< 1 %- Joiner< 1 %
- Ligands Viewer< 1 %
- Scatter Plot (JavaScript)< 1 %
- Fingerprints< 1 %
- RDKit Adjust Query Properties< 1 %
Views
- This node has no views
Workflows
01_Clustering_and_Interactive_Compound_SelectionKNIME Hub- 01_Hitlist_FilterKNIME Hub
- 01_Hitlist_Filter v2KNIME Hub
- 01. Flow VariableKNIME Hub
- 01. Flow VariableKNIME Hub
- Show all 57 workflows
Links
- No links available
Developers
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