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PIPER with constraints

Runs PIPER docking to generate protein-protein complexes using constraints.

Input structuresand constraintsLog filesRun PIPERPrep receptor ConvertDocked proteins Convert LigandReceptorFor each row Prep ligandCreate input JSONCollect resultsRelevantTable Creator Table Viewer ChemistryExternal Tool Protein PreparationWizard MAE-to-Pdb Run Maestro MAE-to-Pdb Get PDB Get PDB Table Row ToVariable Loop Start Protein PreparationWizard Constraints Loop End (2 ports) Column Filter Input structuresand constraintsLog filesRun PIPERPrep receptor ConvertDocked proteins Convert LigandReceptorFor each row Prep ligandCreate input JSONCollect resultsRelevantTable Creator Table Viewer ChemistryExternal Tool Protein PreparationWizard MAE-to-Pdb Run Maestro MAE-to-Pdb Get PDB Get PDB Table Row ToVariable Loop Start Protein PreparationWizard Constraints Loop End (2 ports) Column Filter

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To use this workflow in KNIME, download it from the below URL and open it in KNIME:

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Created by: vass
Created at: 2022-01-13
On NodePit since: 2022-01-26
Last update: 2024-05-01
Created with KNIME version: v4.4.1
Tags: SchrodingerDockingPIPER

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