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Export to LiveDesign

Schrödinger extension for KNIME Workbench version 21.1.156.202102141445 by Schrödinger

Export structures to LiveDesign
Requires Workflow Credentials or 'Credentials Input' Quick Form node with name: ld_credentials

Backend implementation

export_to_ld.py from scripts

Options

Column containing structure
Select the column in the input data table that contains the structures to be exported to LiveDesign.
Settings...
On clicking "Settings" button, this node brings up the "LiveDesign Export" Python panel for configuration.
Parameter flow variables
Any valid option for this node can be specified through flow variables. Only String variables are accepted.
Usage:
Flow variable prefix keyword: LDExport
Note: To specify an option as flow variable, the flow variable name should be like:
keyword-option_name for single-dash option
keyword--option_name for double-dash option

To add a new option with value, specify the option_name and the corresponding value through flow variable.

To add a new option without value, specify the option_name and the value as _on_ through flow variable.

To override an existing option's value in the command line, just specify the option_name and the new value through the flow variable.

To remove an existing option without a value, specify the option_name and the value as _off_ through the flow variable.

To remove an existing option with a value, specify the option_name and the value as _rm_ through the flow variable.

Input Ports

Icon
Structures in Maestro or Sd format

Best Friends (Incoming)

Best Friends (Outgoing)

Workflows

Installation

To use this node in KNIME, install Schrödinger Extensions for KNIME from the following update site:

KNIME 4.3

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Developers

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