LDB Reader

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.

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