Writes the molecules represented by Mol2 cells in one column
to a local Mol2 file or a remote location denoted by a URL. The input needs to contain at least one column
containing structures.
Note that if the destination location is a remote URL not all options are available because in general it's
not possible to determine whether the remote location exists. In this case it will always be overwritten.
Options
Popular Predecessors
- MAE-to-Mol26 %
- OpenBabel5 %
- MolConverter4 %
- Structures Retriever4 %
- File Reader3 %
- Molecule Type Cast3 %
- GroupBy3 %
Column Rename3 %- Chunk Loop Start3 %
- SDF Reader3 %
- CDK to Molecule3 %
- Create File Name (legacy)2 %
- RDKit From Molecule2 %
- MAE-to-Pdb2 %
Table Row to Variable2 %- Column Filter2 %
- Row Filter2 %
Table Reader1 %Joiner1 %- RowID1 %
- Mol2 Reader1 %
- Molecule to CDK1 %
- RDKit Canon SMILES1 %
- RDKit Optimize Geometry1 %
- RDKit To Molecule1 %
- Load Local Mol2 Files1 %
- RDKit Generate Coords1 %
- Create File/Folder Variables1 %
- String Manipulation (Variable)1 %
- Smiles Directory Reader1 %
- Assign Bond Orders1 %
- Parallel Chunk End< 1 %
Table Row to Variable< 1 %Table Row To Variable Loop Start< 1 %- String Manipulation< 1 %
- Molecule Converter (Naomi)< 1 %
- PDB Reader< 1 %
- MarvinSketch< 1 %
- Shuffle< 1 %
- 3D Coordinates< 1 %
- Hydrogen Manipulator< 1 %
- RDKit Diversity Picker< 1 %
Read PDB< 1 %- LigPrep< 1 %
- Advanced MolConverter< 1 %
- Cell Splitter By Position< 1 %
- Row Splitter< 1 %
- SDF Extractor< 1 %
- Molfile Reader< 1 %
- Mol2 Writer< 1 %
- Java Edit Variable (simple)< 1 %
- RDKit Calculate Charges< 1 %
- RDKit Salt Stripper< 1 %
- Load SD-Files (SDF)< 1 %
- Table Row to Variable< 1 %
- CSV Reader< 1 %
- Sorter< 1 %
- String to Path (Variable)< 1 %
- Residue Selector< 1 %
- URL to File Path (Variable)< 1 %
File Reader< 1 %Loop End< 1 %- Partitioning< 1 %
- JPython Function (Legacy)< 1 %
- List to FlowVariable< 1 %
- Feature Remover< 1 %
- Phase Screening< 1 %
- Split by Structure< 1 %
- Load Local PDB Files< 1 %
- Load Text Files< 1 %
- logP< 1 %
- RCSB PdbImporter< 1 %
- Concatenate< 1 %
- Column Resorter< 1 %
- Missing Value Column Filter< 1 %
- Numeric Row Splitter< 1 %
- Row Sampling< 1 %
- Column Splitter< 1 %
- Cache< 1 %
- SDF Stripper< 1 %
- Document Vector Hashing Applier< 1 %
- Column Filter (legacy)< 1 %
- Value Filter (legacy)< 1 %
- R to Table< 1 %
- Lipinski's Rule-of-Five< 1 %
- RDKit Descriptor Calculation< 1 %
- RDKit Open 3D Alignment< 1 %
- RDKit Remove Hs< 1 %
- RDKit RMSD Filter< 1 %
- Tautomer Generator (Naomi)< 1 %
Read MOE< 1 %- MMFF94 Library Minimizer< 1 %
- Run Maestro< 1 %
- Try (Data Ports)< 1 %
- Table Reader< 1 %
- Table Row to Variable Loop Start< 1 %
- String to Path< 1 %
- JSON Writer< 1 %
- RDKit Add Conformers< 1 %
Views
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Workflows
03_Run PyMOLKNIME Hub- 03_Run PyMOLKNIME Hub
- Node Workbench nodesKNIME Hub
- Node Workbench nodesKNIME Hub
- PSW-Designer_v1.0_LinuxKNIME Hub
- Show all 8 workflows
Links
- No links available
Developers
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