Generates coordinates (2D or 3D) for an input RDKit Mol column.
Options
Popular Predecessors
- RDKit Add Hs7 %
- RDKit From Molecule4 %
- Molecule Type Cast3 %
- RDKit Chemical Transformation3 %
- Joiner3 %
- OpenBabel3 %
- RDKit One Component Reaction3 %
Row Splitter (deprecated)2 %- RDKit Optimize Geometry2 %
- RDKit Kekulizer2 %
- Mol2 Reader2 %
- Tautomer Generator1 %
- Speedy SMILES Enumerate Stereoisomers1 %
- Column Filter1 %
- RDKit Generate Coords1 %
- RDKit Canon SMILES1 %
- RDKit Descriptor Calculation1 %
- Hydrogen Manipulator1 %
- Chunk Loop Start1 %
- MolConverter1 %
Row Filter (deprecated)1 %Joiner1 %- RDKit Add Conformers1 %
- RDKit Calculate Charges1 %
- RDKit Fingerprint1 %
- RDKit Substructure Filter1 %
- RDKit Aromatizer1 %
- Column Resorter1 %
- Concatenate< 1 %
- RowID< 1 %
- Rule-based Row Filter< 1 %
- SDF Reader< 1 %
- RDKit To Molecule< 1 %
- RDKit Remove Hs< 1 %
- RDKit Salt Stripper< 1 %
RDKit Structure Normalizer< 1 %- RDKit Two Component Reaction< 1 %
- Cross Joiner< 1 %
Column Rename< 1 %- Table Row to Variable< 1 %
- Duplicate Row Filter< 1 %
- k-Medoids< 1 %
RDKit Functional Group Filter< 1 %- RDKit Interactive Table< 1 %
- RDKit Open 3D Alignment< 1 %
- File Reader (Complex Format)< 1 %
- RDKit Find Murcko Scaffolds< 1 %
- Standardizer< 1 %
File Reader< 1 %- Column Merger< 1 %
- Reference Row Filter< 1 %
- GroupBy< 1 %
- Sorter< 1 %
- Tautomer Generator< 1 %
- Java Snippet< 1 %
Excel Reader (XLS)< 1 %- 3D Coordinates< 1 %
- Column Filter (legacy)< 1 %
- Speedy SMILES De-salt< 1 %
Table Row to Variable< 1 %- String Manipulation< 1 %
- SDF Extractor< 1 %
Python Script (1⇒1)< 1 %- RDKit R-Group Decomposition (deprecated)< 1 %
- Load Local Mol2 Files< 1 %
- String to Table< 1 %
- RDKit From InChI< 1 %
- RDKit SMILES Headers< 1 %
- Hydrogen Adder< 1 %
- Speedy SMILES Dummy Atom Count< 1 %
- Table Manipulator< 1 %
- Python Script (legacy)< 1 %
- SMARTS Query< 1 %
- RDKit Molecule Extractor< 1 %
- Isomer Enumerator< 1 %
- MarvinSketch< 1 %
- Table Creator< 1 %
Loop End< 1 %- Column List Loop Start< 1 %
Concatenate (Optional in)< 1 %- Column Combiner< 1 %
- Java Snippet Row Filter< 1 %
- 2D Coordinates< 1 %
- Molecular Properties< 1 %
- Substructure Search< 1 %
- RDKit Diversity Picker< 1 %
- RDKit MCS< 1 %
- RDKit Molecule Substructure Filter< 1 %
- Organic Splitter< 1 %
- Speedy SMILES Explicit Chirality Filter< 1 %
- Speedy SMILES Explicit Chirality Splitter< 1 %
Loop End (3 ports)< 1 %- Structure Checker< 1 %
Table Row to Variable< 1 %Table Row To Variable Loop Start< 1 %Recursive Loop End< 1 %- Column Comparator< 1 %
- Constant Value Column< 1 %
- Row Sampling< 1 %
- Rule-based Row Splitter< 1 %
- Molfile Reader< 1 %
- Smiles Directory Reader< 1 %
- Math Formula< 1 %
- Image Generator< 1 %
- Row Splitter (col+)< 1 %
- CDK to Molecule< 1 %
- Molecule to CDK< 1 %
- Structure Sketcher< 1 %
- RDKit RMSD Filter< 1 %
- RDKit Substructure Counter< 1 %
- Load SD-Files (SDF)< 1 %
- CSV Reader< 1 %
Loop End (2 ports)< 1 %- PCA< 1 %
- Column Appender< 1 %
- Rule Engine< 1 %
- Empty Table Switch< 1 %
- Parameterized DB Query Reader< 1 %
- Single Selection Configuration< 1 %
- RDKit From IUPAC< 1 %
Views
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Workflows
_01_ChemicalLibraryEnumerationKNIME Hub- 01_Hitlist_FilterKNIME Hub
- 01_Hitlist_Filter v2KNIME Hub
- 03_Template_EnumerationKNIME Hub
- 03_Template_EnumerationKNIME Hub
- Show all 30 workflows
Links
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Developers
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