This node reads Molfiles (*.mol) from a directory and creates a row for each file. The row ID is either taken from the file name or extracted from the molecule itself. The node can also read gzipped files ending with *.mol.gz.
Options
Popular Successors
- RowID4 %
- MolConverter4 %
- RDKit Molecule Substructure Filter4 %
- Canonical SMILES2 %
MarvinSpace2 %- RDKit Add Hs2 %
- Aromatizer2 %
- Cross Joiner2 %
- Molecule Type Cast2 %
Python Script (1⇒1)2 %- 3D Coordinates2 %
- RDKit To Molecule2 %
- Java Snippet2 %
- Column Filter2 %
Row Filter (deprecated)2 %Joiner2 %- Joiner2 %
- String Manipulation2 %
- Rule-based Row Filter2 %
- Molfile Writer2 %
- SDF Writer2 %
- OpenBabel2 %
- Molecule to CDK2 %
- RDKit Descriptor Calculation2 %
- RDKit From Molecule2 %
- RDKit Fingerprint2 %
- RDKit Substructure Counter2 %
- CIR1 %
- Principal Moment of Intertia (PMI)-Derived Properties1 %
Loop End1 %- Constant Value Column1 %
- MoSS MCSS Molecule Similarity1 %
RDKit Structure Normalizer1 %- Duplicate Row Filter< 1 %
Column Rename< 1 %- Table View (JavaScript)< 1 %
- Connectivity< 1 %
- Molecular Properties< 1 %
- Feature Remover< 1 %
CSV Writer< 1 %CASE Switch Data (End)< 1 %- SDF Extractor< 1 %
- Mol2 Writer< 1 %
- Java Snippet (simple)< 1 %
- CDK to Molecule< 1 %
- Fingerprint Similarity< 1 %
- RDKit Add Conformers< 1 %
- RDKit Optimize Geometry< 1 %
- Send File Path< 1 %
- Atom Selector< 1 %
- Molecule Properties< 1 %
- Indigo Fingerprint< 1 %
- Reaction Builder< 1 %
- Standardizer< 1 %
- Substructure Matcher< 1 %
- Align to Inertial Principal Axes< 1 %
- Save File Locally< 1 %
- Advanced MolConverter< 1 %
- MarvinTable< 1 %
- MarvinView< 1 %
- Extract URI Info< 1 %
- URL to File Path (Variable)< 1 %
Variable to Table Column< 1 %Table Row To Variable Loop Start< 1 %- Loop End (Column Append)< 1 %
- Chunk Loop Start< 1 %
- Concatenate< 1 %
Concatenate (Optional in)< 1 %Cell Replacer< 1 %Cell Splitter< 1 %- Column Combiner< 1 %
Column Appender< 1 %- Reference Row Filter< 1 %
- Reference Row Splitter< 1 %
- Interactive Table (legacy)< 1 %
- SDF Inserter< 1 %
- SDF Stripper< 1 %
- SDF Reader< 1 %
- Fingerprint Bayesian Learner< 1 %
- Fingerprint Bayesian Predictor< 1 %
- Similarity Search< 1 %
- Generic Web Service Client< 1 %
XLS Writer< 1 %- Fingerprints< 1 %
- Hydrogen Manipulator< 1 %
- 3D RMSD< 1 %
- 3D Viewer< 1 %
- RDKit Generate Coords< 1 %
- RDKit Canon SMILES< 1 %
- RDKit Interactive Table< 1 %
- RDKit Find Murcko Scaffolds< 1 %
- RDKit One Component Reaction< 1 %
- RDKit Open 3D Alignment< 1 %
- RDKit R-Group Decomposition< 1 %
- RDKit Two Component Reaction< 1 %
Views
- This node has no views
Workflows
02 CCDC CSD Substructure SearchKNIME Hub- 03 CCDC CSD Similarity SearchKNIME Hub
- CCDC Load MOL filesKNIME Hub
- GGP2105_2Dto3DKNIME Hub
- Node Workbench nodesKNIME Hub
- Show all 8 workflows
Links
- No links available
Developers
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