Generates coordinates (2D or 3D) for an input RDKit Mol column.
Options
Popular Successors
- RDKit Optimize Geometry8 %
RDKit Structure Normalizer7 %- SDF Writer4 %
- RDKit Open 3D Alignment3 %
- Standardizer2 %
PMI Calculation2 %- RDKit Descriptor Calculation2 %
- Molecular Properties2 %
- RDKit To Molecule2 %
- Constant Value Column2 %
- RDKit Substructure Filter2 %
- Joiner2 %
- Tautomer Generator1 %
- Principal Moment of Intertia (PMI)-Derived Properties1 %
Row Filter (deprecated)1 %- 3D Viewer1 %
- RDKit Add Conformers1 %
- RDKit Generate Coords1 %
- RDKit Molecule to SVG1 %
- Concatenate1 %
- Python Script (legacy)1 %
- Fingerprints1 %
- RDKit Interactive Table1 %
- RDKit From Molecule1 %
Write MDB< 1 %- Loop End< 1 %
Cell Replacer< 1 %- Column Appender< 1 %
- Column Filter< 1 %
- Reference Row Filter< 1 %
- RowID< 1 %
- String Manipulation< 1 %
- Renderer to Image< 1 %
- Molecule Type Cast< 1 %
- Mol2 Writer< 1 %
- OpenBabel< 1 %
- 3D D-Similarity< 1 %
- RDKit Add Hs< 1 %
- RDKit Canon SMILES< 1 %
- RDKit Molecule Highlighting< 1 %
- RDKit Kekulizer< 1 %
- RDKit Molecule Substructure Filter< 1 %
- RDKit Find Murcko Scaffolds< 1 %
- RDKit One Component Reaction< 1 %
- RDKit Fingerprint< 1 %
- RDKit Remove Hs< 1 %
- Speedy SMILES Possible Stereoisomer Count< 1 %
- Hierarchical Cluster Assigner (local)< 1 %
- Cross Joiner< 1 %
- Partitioning< 1 %
- SDF Stripper< 1 %
- Canonical SMILES< 1 %
- MolConverter< 1 %
- Molfile Writer< 1 %
- Math Formula< 1 %
- HeatMap (JFreeChart)< 1 %
- Molecule to CDK< 1 %
RDKit Functional Group Filter< 1 %- RDKit Molecule Catalog Filter< 1 %
- Speedy SMILES Chiral Centre Count< 1 %
Loop End< 1 %- Chunk Loop Start< 1 %
Excel Writer (XLS)< 1 %Excel Writer (XLS)< 1 %Python Script (1⇒1)< 1 %- 3D Coordinates< 1 %
- Substructure Search< 1 %
- RDKit R-Group Decomposition< 1 %
- RDKit R-Group Decomposition (deprecated)< 1 %
- RDKit Salt Stripper< 1 %
- XedMin< 1 %
- Domain - Similarity< 1 %
- Align to Inertial Principal Axes< 1 %
- MarvinTable< 1 %
- Screen3D< 1 %
- Standardizer< 1 %
MarvinSpace< 1 %- MarvinView< 1 %
Variable to Table Column< 1 %CSV Writer< 1 %- Java Snippet< 1 %
- Random Forest Learner (Regression)< 1 %
- Column Auto Type Cast< 1 %
- Column Resorter< 1 %
- Duplicate Row Filter< 1 %
- Filter Apply< 1 %
Row Splitter (deprecated)< 1 %- GroupBy< 1 %
Joiner< 1 %- Pivot< 1 %
Column Rename< 1 %- Sorter< 1 %
- Column Splitter< 1 %
- End IF< 1 %
- Create Temp Dir (legacy)< 1 %
- Interactive Table (legacy)< 1 %
- SDF Extractor< 1 %
- SDF Inserter< 1 %
- Parallel Chunk End< 1 %
- Time Series Generator< 1 %
Table to PDF< 1 %- Table View (JavaScript)< 1 %
- Multiobjective Subset Selection (NSGA-II)< 1 %
- 3D D-Moments< 1 %
- Lipinski's Rule-of-Five< 1 %
- RDKit Aromatizer< 1 %
- RDKit Calculate Charges< 1 %
- RDKit Chemical Transformation< 1 %
- RDKit Diversity Picker< 1 %
- RDKit Molecule Extractor< 1 %
- RDKit Molecule Fragmenter< 1 %
- RDKit To InChI< 1 %
- RDKit RMSD Filter< 1 %
- RDKit SMILES Headers< 1 %
- RDKit Substructure Counter< 1 %
- RDKit Two Component Reaction< 1 %
Views
- This node has no views
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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