Import from LiveDesign

Import structures and data from a LiveDesign project.
Requires Workflow Credentials or 'Credentials Input' Quick Form node with name: ld_credentials

Backend implementation

Options

Output Column Structure

Choose the output columns:

Input plus Output - The input columns are included in the output.

Output replaced within Input columns - The output columns are the same as the input, with the output structures replacing the input column selected

Output only - Only Output structures

Output mode

Row per pose (not extracted) - Creates one row per pose and does not extract the selected properties as columns

Row per pose - Creates one row per pose and extracts the selected properties as columns.

Settings...

On clicking "Settings" button, this node brings up the "LiveDesign Import" Python panel for configuration.

One step import

Select this checkbox to import the structures and optionally all properties, without opening the python panel via Settings.

LiveReport ID

Specify the livereport id from which the structures and properties will be imported.

Compounds only

If checked ON, only structures will be imported. If checkd OFF, compounds and all properties will be imported. Default is OFF.

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: LDImport
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.

Views

Output

Output

Workflows

• LD import - invoke on KNIME serverKNIME Hub
• LD import and exportKNIME Hub
• LD import from the WebportalKNIME Hub
• Live Design 1KNIME Hub
• Live Design 1-2KNIME Hub
• Show all 10 workflows

Links

• No links available

Developers