This nodes writes molecules from a Smiles column into separate files into a directory. The Row IDs are
used as file names.
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
File Reader10 %- MarvinSketch6 %
- OpenBabel6 %
- CDK to Molecule5 %
- Column Filter5 %
- SDF Reader4 %
- Canonical SMILES3 %
- Molecule Type Cast3 %
- Column Resorter3 %
- Smiles Directory Reader2 %
- MolConverter2 %
Column Rename2 %Excel Reader (XLS)2 %Excel Reader (XLS)2 %- RDKit Canon SMILES2 %
- Excel Reader2 %
- Number to String2 %
- Speedy SMILES Enumerate Stereoisomers1 %
- Sorter1 %
XLS Reader1 %- Column Auto Type Cast1 %
- Reference Row Filter1 %
Joiner1 %- Structure Checker1 %
- CSV Reader1 %
Column Appender< 1 %Row Filter (deprecated)< 1 %- Rule-based Row Filter< 1 %
- Fingerprint Similarity< 1 %
- RDKit Molecule Fragmenter< 1 %
CSV Reader< 1 %Table Reader< 1 %- RowID< 1 %
- Molecule to CDK< 1 %
- RDKit To Molecule< 1 %
- RDKit SMILES Headers< 1 %
- RDKit Substructure Filter< 1 %
- Atom Replacer< 1 %
- SMILES Reader< 1 %
- Standard Properties< 1 %
- SMARTSViewer< 1 %
- PDB SMILES Query< 1 %
- Automated Matched Pairs< 1 %
- Strings to Binary Objects< 1 %
String To Number< 1 %Row Splitter (deprecated)< 1 %- Create Temp Dir (legacy)< 1 %
Excel Reader (XLS)< 1 %- Molecular Properties< 1 %
- RDKit Add Hs< 1 %
- RDKit Aromatizer< 1 %
- RDKit Diversity Picker< 1 %
- RDKit From InChI< 1 %
- RDKit From IUPAC< 1 %
- RDKit Optimize Geometry< 1 %
- Speedy SMILES Ring Count< 1 %
- Speedy SMILES De-salt< 1 %
- MMP Molecule Fragment (RDKit)< 1 %
- File Reader< 1 %
- Table Creator< 1 %
- GroupBy< 1 %
- Joiner< 1 %
- Table Transposer< 1 %
- SDF Extractor< 1 %
- Similarity Search< 1 %
- RDKit MCS< 1 %
- RDKit From Molecule< 1 %
Views
- This node has no views
Workflows
- No workflows found
Links
- No links available
Developers
You want to see the source code for this node? Click the following button and we’ll use our super-powers to find it for you.