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Upload LiveDesign Protocols

Schrödinger extension for KNIME Workbench version by Schrödinger

Upload a set of protocols to LiveDesign
Requires Workflow Credentials or 'Credentials Input' Quick Form node with name: ld_credentials
Backend implementation
LiveDesign_admin.py from KNIME scripts


LiveDesign host
Specify a LiveDesign host to upload a set of protocols. If "From the Preferences" is selected, then the value set in Preferences is taken.
Column containing protocol filepath
Select the column that contains the path to the protocol files to be uploaded.
Column containing New name (optional)
Select a column that contains new names for the uploaded protocols. This is optional and if no column is selected, then the name in the protocol file is used.
Schordinger Suite
Specify the Schrodinger Suite (on LiveDesign host) to be used for this Model. This will be the value of the 'SCHRODINGER' MODEL DATA in the Model. The format could be an absolute path of the SCHRODINGER on the LiveDesign host or simply the release year like '2019-3'. If "From the Preferences" is selected, then the value set in Preferences is taken. If "Same as current" is selected, the current Schroinger release version will be used. If left empty, the value in Preferences will be taken. If it is empty in Preferences too, then current Schrodinger release version will be used.
PyMOL Location
Specify the PyMOL executable location on LiveDesign instance.
Extra arguments
Specify any extra arguments for the LiveDesign_admin.py script

Input Ports

Table of columns

Output Ports




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