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
- SDF Writer8 %
- RDKit R-Group Decomposition6 %
- RDKit Molecule to SVG5 %
Image Writer (Table Column)4 %- Column Filter4 %
- GroupBy4 %
- Renderer to Image4 %
Python Script (1⇒1)4 %- RDKit Interactive Table4 %
- Chemical Terms3 %
- Loop End3 %
- Constant Value Column3 %
- Joiner3 %
- Interactive Table (legacy)3 %
Loop End3 %Row Filter (deprecated)3 %- Table View (JavaScript)3 %
- RDKit SMILES Headers3 %
- Timer Info2 %
- RDKit Canon SMILES2 %
- RDKit Substructure Filter2 %
- Set To List1 %
- MarvinView1 %
Concatenate (Optional in)1 %- Partitioning1 %
- RDKit Molecule Highlighting1 %
- RDKit R-Group Decomposition (deprecated)1 %
- Highlighter< 1 %
- Split Collection Column< 1 %
Table Writer< 1 %- Linear Regression Learner< 1 %
- Concatenate< 1 %
- String to SVG< 1 %
- Column Resorter< 1 %
- Reference Row Filter< 1 %
Joiner< 1 %Column Rename< 1 %Excel Sheet Appender (XLS)< 1 %Excel Writer (XLS)< 1 %- Scatter Plot (JavaScript)< 1 %
- CDK to Molecule< 1 %
- Fingerprints< 1 %
- RDKit Adjust Query Properties< 1 %
- RDKit Chemical Transformation< 1 %
- RDKit Descriptor Calculation< 1 %
- RDKit From Molecule< 1 %
RDKit Structure Normalizer< 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 58 workflows
Links
- No links available
Developers
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