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Missing Loop Refinement

Missing loop refinement

Refine all the loops that were added using 'Fill loops' option in the Protein Preparation node and then compare it with initial stucture.

MIssing loop refinement: Refine all the loops that were added using 'Fill loops' option in the Protein Preparation node and then compare it with initial stucture. 1jrh ResiduesFill missing loops Loopstart - endChain,Residue number,insertion codeRefineLoops--loopstartLoop rebuilt Range<>1 EndRange<>1 Start Loop numberstarting at 0 Loop numberstarting at 1RefineLoops--loopendPrime log Enforce inclusionLoop number,Refine loops %file% PDB IDInitial structure Get PDB Extract Atom/bondProperties GroupBy Protein PreparationWizard Column Appender Sorter String Manipulation Row Filter Moving Aggregation Row Filter Moving Aggregation Row Filter Counter Generation Counter Generation String Manipulation ChemistryExternal Tool Table Viewer Run Maestro Concatenate (Optionalin) (deprecated) Column Filter Sorter Concatenate (Optionalin) (deprecated) Molecule Writer(from MAE) Extract Properties ConstantValue Column Set Molecule Title Set Molecule Title MIssing loop refinement: Refine all the loops that were added using 'Fill loops' option in the Protein Preparation node and then compare it with initial stucture. 1jrh ResiduesFill missing loops Loopstart - endChain,Residue number,insertion codeRefineLoops--loopstartLoop rebuilt Range<>1 EndRange<>1 Start Loop numberstarting at 0 Loop numberstarting at 1RefineLoops--loopendPrime log Enforce inclusionLoop number,Refine loops %file% PDB IDInitial structure Get PDB Extract Atom/bondProperties GroupBy Protein PreparationWizard Column Appender Sorter String Manipulation Row Filter Moving Aggregation Row Filter Moving Aggregation Row Filter Counter Generation Counter Generation String Manipulation ChemistryExternal Tool Table Viewer Run Maestro Concatenate (Optionalin) (deprecated) Column Filter Sorter Concatenate (Optionalin) (deprecated) Molecule Writer(from MAE) Extract Properties ConstantValue Column Set Molecule Title Set Molecule Title

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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: bhola
Created at: 2019-01-08
On NodePit since: 2020-08-12
Last update: 2024-11-21
Created with KNIME version: v4.1.0
Tags: Protein

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