0 ×

LDB Reader

LigandScout Extensions for the KNIME Workbench version 1.7.9 by InteLigand GmbH

The LDB Reader node loads molecules from LigandScout Local Screening Database (LDB) files for subsequent processing. For screening purposes use the "Database List" node instead.

Options

Settings

Input Filename
Path to the LDB-database.
Molecule column
Name of the column in the output table that should hold the molecule structure.
(Default: Molecule)
Extract molecule name to column
Name of the column in the output table that should hold the molecule name. Subsequent LigandScout nodes work best if the default is used.
(Default: Name)
Add source location to column
If selected, the output column will contain an additional column with the input filename. This can be useful to track the origin of molecules in subsequent nodes' output tables.
(Default: false)

Property Handling

Extract all properties
If checked, all properties found in the input file will be extracted to respective columns in the output table.
(Default: Off)
Scan file
Scans the input file for properties and allows subsequent selection of properties that should be included in the output table.

Output Ports

Icon
Table containing the molecule(s) read from the specified LDB-file

Best Friends (Incoming)

Best Friends (Outgoing)

Installation

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

KNIME 4.3

You don't know what to do with this link? Read our NodePit Product and Node Installation Guide that explains you in detail how to install nodes to your KNIME Analytics Platform.

Wait a sec! You want to explore and install nodes even faster? We highly recommend our NodePit for KNIME extension for your KNIME Analytics Platform. Browse NodePit from within KNIME, install nodes with just one click and share your workflows with NodePit Space.

Developers

You want to see the source code for this node? Click the following button and we’ll use our super-powers to find it for you.