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Upload LiveDesign Models

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

Options

LiveDesign host: Specify a LiveDesign host to upload a set of models. If "From the Preferences" is selected, then the value set in Preferences is taken.
Column containing model filepath: Select the column that contains the path to the model files (.knwf or .zip) to be uploaded.
Column containing New name (optional): Select a column that contains new names for the uploaded models. This is optional and if no column is selected, then the name in the model file is used.
LiveDesign Protocol: Specify the LiveDesign parent protocol for the uploaded models. Either a protocol id or name can be specified. If empty, then the model's protocol will be used.
Column containing folder name: Select an input column containing folder names. If 'Use Default Folder' is selected, or if the cell in the selected column is missing, then value in 'Default Folder' field is used
Default Folder: Specify a default folder name (under 'Computational Models') to upload the Model
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.
Extra arguments: Specify any extra arguments for the LiveDesign_admin.py script

Input Ports

: Table of columns

Output Ports

: Report

Popular Predecessors

Save Workflow100 %

Popular Successors

Verify LiveDesign Models100 %

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Installation

To use this node in KNIME, install the extension Schrödinger Extensions for KNIME from the below update site following our NodePit Product and Node Installation Guide:

v5.2

A zipped version of the software site can be downloaded here.

Plugin provider: Schrödinger

Plugin version: 24.3.138.v202407300410

On NodePit since: 2023-12-06

Last update: 2024-11-20

KNIME versions: v5.2, v5.1, v4.7, v4.6, v4.5, v4.4, v4.3, v4.2, v4.1, v4.0, v3.7, v3.6

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