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Upload to Live Design - Epik

Upload to Live Design:This workflow is exported as new Live Design model when executing the Upload to Live Design node. The selected column(s) can be added to the Live Report. TheKNIME workflow is run from Live Design on the Compound structures.[Requires: Maestro] %file%Compound structure column (2D) fromthe Live ReportGenenrate 3D coordinates Most probableformState penalty Upload toLiveDesign Credentials Input SDF Reader LigPrep Extract Properties Epik Maestro MolecularProperties Transpose Column Filter Ungroup MAE GroupBy Sorter Save Workflow Joiner Upload to Live Design:This workflow is exported as new Live Design model when executing the Upload to Live Design node. The selected column(s) can be added to the Live Report. TheKNIME workflow is run from Live Design on the Compound structures.[Requires: Maestro] %file%Compound structure column (2D) fromthe Live ReportGenenrate 3D coordinates Most probableformState penalty Upload toLiveDesign Credentials Input SDF Reader LigPrep Extract Properties Epik Maestro MolecularProperties Transpose Column Filter Ungroup MAE GroupBy Sorter Save Workflow Joiner

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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: kuppuraj
Created at: 2019-05-20
On NodePit since: 2019-11-24
Last update: 2020-02-26
Created with KNIME version: v4.0.1

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