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A Pose Viewer contain a receptor as the first structure and a set of ligands. PoseViewer-to-Complexes can be used to generate individual receptor/ligand pairs from a pose viewer file.
Backend implementation
scripts/pv_to_complexes.pyThe script pv_to_complexes.py is used to convert the Pose Viewer input to the Complexes output
Options
Popular Successors
- Catch Errors (Data Ports)11 %
- Table Viewer9 %
- Molecule Writer (from MAE)8 %
- Extract Properties8 %
- Run Maestro8 %
- Loop End8 %
Loop End6 %- MAE-to-Pdb5 %
Column Appender5 %- Complexes-to-PoseViewers3 %
- MAE-to-SD3 %
- Prime MM-GBSA3 %
- Chunk Loop Start3 %
Joiner3 %- Chemistry External Tool2 %
- Fragment Joiner2 %
- Glide Sort Results2 %
- Impref2 %
- Induced Fit Docking2 %
- Run Maestro Command2 %
- Pose Filter2 %
- Set Molecule Title2 %
- Structure Filter2 %
Table Row to Variable2 %Column Rename2 %- End IF2 %
- SDF Writer2 %
Views
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Workflows
Docking 1-3KNIME Hub- Docking 1-3KNIME Hub
- Docking in the most similar binding siteKNIME Hub
- Ensemble dockingKNIME Hub
- Ensemble dockingKNIME Hub
- Show all 9 workflows
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