Read molecules in PDB format.
To remove files from the list select the file and press the 'Delete' key.
To select all files in the list press Ctrl-A.
To add all files that match a pattern, using an asterisk (*) into the dialog "File Name" field. Press return, and the file filter will show up in the "Files of Type" drop down, then press Ctrl-A to select all of the files that show up with that filter. The list of files will then show up in the "File Name:" field, space delimited with double quotes around each file name. Then press "Open" to load all of those files.
Options
Popular Successors
- Protein Preparation Workflow8 %
- Molecule-to-MAE7 %
Protein Preparation Wizard4 %- Induced Fit Docking3 %
- LigPrep3 %
- Run Maestro Command3 %
- AutoDock Vina2 %
- Python Script 2:22 %
- Chunk Loop Start2 %
- Alignment Writer2 %
- Run PyMOL2 %
Loop End2 %- Ligands and Proteins Viewer2 %
- OpenBabel2 %
- Desmond System Builder2 %
- Glide Ligand Docking2 %
- Prime MM-GBSA2 %
- Protein Structure Alignment2 %
- PDB Sequence Extractor2 %
- Python Script (legacy)2 %
- Structure-based Pharmacophore Creator1 %
- Delete Atoms1 %
- Molecule Writer (from MAE)1 %
- String-to-Type1 %
- PDB Loader1 %
- Extract URI Info1 %
Concatenate (Optional in)1 %- PDB Writer1 %
- Glide Grid Generation1 %
- Split by Structure1 %
- Java Snippet1 %
- SDF Extractor1 %
- Mol2 Writer1 %
- 3D Viewer< 1 %
- Add Hydrogens< 1 %
- Fragments from Molecules< 1 %
- MAE-to-SD< 1 %
- Prime Minimization< 1 %
Variable to Table Column< 1 %Table Writer< 1 %- Row Splitter< 1 %
- Path to String (Variable)< 1 %
- RDKit From Molecule< 1 %
- Docking (FlexX)< 1 %
- SeeSAR Interactive GUI< 1 %
- Sequence Properties< 1 %
- AutoDock 4< 1 %
- Align Binding Sites< 1 %
- Maestro Molecular Properties< 1 %
- Hierarchical Clustering Report< 1 %
- Generate Smarts< 1 %
- Glide Ensemble Merge< 1 %
Glide Ligand Docking< 1 %- Glide Merge< 1 %
- KNIME-Maestro Connector< 1 %
- MAE-to-Pdb< 1 %
- Extract Properties< 1 %
- Set MAE Properties< 1 %
- Run Maestro< 1 %
- Multiple Sequence Viewer< 1 %
- Set PDB Name< 1 %
- Phase Screening< 1 %
- Prime Refine Loops< 1 %
- Protein Assignment< 1 %
- Python Script 1:1< 1 %
- RMSD< 1 %
- BLAST< 1 %
- Sequence Writer< 1 %
- Shape Screening< 1 %
- SiteMap< 1 %
- PDB Saver< 1 %
- PDB Property Extractor< 1 %
- MolConverter< 1 %
- Extract pharmacophore points< 1 %
- URL to File Path< 1 %
- Concatenate< 1 %
- Column Appender< 1 %
- Constant Value Column< 1 %
- Row Filter< 1 %
Joiner< 1 %- Column Splitter< 1 %
- String Manipulation< 1 %
- IF Switch< 1 %
- SDF Writer< 1 %
- Smiles Directory Writer< 1 %
- Fingerprint Bayesian Predictor< 1 %
- Parallel Chunk Start< 1 %
- JPython Script 1:1 (Legacy)< 1 %
- Fingerprints< 1 %
- 3D Viewer< 1 %
- RDKit Descriptor Calculation< 1 %
- RDKit Molecule Fragmenter< 1 %
- RDKit Fingerprint< 1 %
Views
- This node has no views
Workflows
Get PDB and preparationKNIME Hub- Model building on a template 1KNIME Hub
- Model building on a template 1-2KNIME Hub
- Protein model buildingKNIME Hub
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.