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Extract properties from Maestro, Sequence, Alignment and Hypothesis cells.
Options
Popular Successors
- Row Filter6 %
- Sorter3 %
- Group Loop Start3 %
Joiner3 %- Column Filter2 %
- String Replacer2 %
- LigPrep1 %
Python Script (1⇒1)1 %- RDKit From Molecule1 %
- Catch Errors (Data Ports)1 %
- Duplicate Row Filter1 %
- Joiner1 %
- Rule Engine1 %
- AutoQSAR Build Model1 %
- Export to LiveDesign1 %
- MAE-to-Mol21 %
- Molecule Writer (from MAE)1 %
- Set Molecule Title1 %
- Convert Table to Matrix1 %
Loop End1 %- Reference Row Filter1 %
- RowID1 %
- Numeric Outliers1 %
Excel Writer (XLS)1 %- Duplicate Filter< 1 %
- Maestro Molecular Properties< 1 %
- Compare Ligand Sets< 1 %
- Glide Ligand Docking< 1 %
- Glide Sort Results< 1 %
- Glide Grid Generation< 1 %
- Hartree-to-kcal/mol Converter< 1 %
- Lookup and Add Columns< 1 %
- MAE-to-SD< 1 %
- Extract Properties< 1 %
- Set MAE Properties< 1 %
- Run Maestro< 1 %
- MAE-to-Smiles< 1 %
- MacroModel Conformational Search< 1 %
- Split by Structure< 1 %
- Generate Unique Smiles< 1 %
Table Column to Variable< 1 %- CSV Writer< 1 %
- Chunk Loop Start< 1 %
- Concatenate< 1 %
- Cell Splitter< 1 %
Column Appender< 1 %- Row Splitter< 1 %
- GroupBy< 1 %
Column Rename< 1 %- String Manipulation< 1 %
- Rule-based Row Filter< 1 %
- Statistics< 1 %
CASE Switch Data (Start)< 1 %- Column Expressions< 1 %
- Scatter Plot (JFreeChart)< 1 %
- Scatter Plot (JavaScript)< 1 %
- RDKit Canon SMILES< 1 %
- Chemistry External Tool< 1 %
- Delete MAE Properties< 1 %
- MAE-to-Pdb< 1 %
- Extract Atom/bond Properties< 1 %
- Property Filter (Propfilter)< 1 %
- SiteMap< 1 %
Variable to Table Column< 1 %Table Row to Variable< 1 %- Table Row to Variable< 1 %
- Column Filter (PMML)< 1 %
- External Tool< 1 %
Excel Writer (XLS)< 1 %- Ungroup MAE< 1 %
- Python Script 1:1< 1 %
- Reaction Based Enumeration< 1 %
- Table Viewer< 1 %
CSV Writer< 1 %- Perl Scripting< 1 %
Cell Splitter< 1 %- Add Hydrogens< 1 %
- Fragments from Molecules< 1 %
- Glide Merge< 1 %
- kJ-to-kcal Converter< 1 %
- Ligfilter< 1 %
Protein Preparation Wizard< 1 %- QikProp< 1 %
- Table Writer< 1 %
Table Writer< 1 %- Column Combiner< 1 %
- Rule-based Row Splitter< 1 %
CASE Switch Data (End)< 1 %- Scatter Plot (legacy)< 1 %
- Color Manager< 1 %
- Math Formula (Multi Column)< 1 %
- Java Snippet (simple)< 1 %
Python Script (1⇒1)< 1 %- Python View (legacy)< 1 %
- Conformer Cluster< 1 %
- Delete Atoms< 1 %
- Canvas Fingerprint Generation< 1 %
Glide Ligand Docking< 1 %- Group MAE< 1 %
- Set MAE Index< 1 %
- Run Maestro Command< 1 %
- MacroModel Single Point Energy< 1 %
- Multiple Sequence Viewer< 1 %
Neutralizer< 1 %- Phase DB Creation< 1 %
- Volume Overlap Matrix< 1 %
- Pose Filter< 1 %
- Residue Scanning< 1 %
- RMSD< 1 %
- Shape Screening< 1 %
- Unique Title Check< 1 %
- Speedy SMILES Heavy Atom Count (HAC)< 1 %
- Desirability Ranking< 1 %
- Active Branch Inverter< 1 %
- Table Column to Variable< 1 %
Table Row to Variable< 1 %Variable to Table Row< 1 %- Java Snippet< 1 %
- Table Row to Variable Loop Start< 1 %
Numeric Scorer< 1 %- Column Auto Type Cast< 1 %
- Column Merger< 1 %
- Column Rename (Regex)< 1 %
- Column Resorter< 1 %
- Constant Value Column< 1 %
- Partitioning< 1 %
- Pivot< 1 %
- Numeric Row Splitter< 1 %
- Row Sampling< 1 %
- Column Splitter< 1 %
- Table Transposer< 1 %
- Interactive Histogram (legacy)< 1 %
- Box Plot (legacy)< 1 %
- Interactive Table (legacy)< 1 %
- SDF Writer< 1 %
- Parallel Chunk End< 1 %
- Math Formula< 1 %
- Excel Writer< 1 %
- Dictionary Replacer< 1 %
- Scorer (JavaScript)< 1 %
Python Script (2⇒1)< 1 %- RDKit Interactive Table< 1 %
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Workflows
Add structures as Generic EntityKNIME Hub- Alignment and rescoringKNIME Hub
- AutoQSARKNIME Hub
- AutoQSARKNIME Hub
- AutoQSARKNIME Hub
- Show all 261 workflows
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