SDF Writer

The SDF Writer node saves molecules into MDL Structure-Data Files (SDF).

Options

Settings

Output Filename

Path to the output SD-file.

Structure column

Column from the input table to be treated as molecule structure.
(Default: First column with a supported molecule structure type)

Use column as molecule title

Column from the input table to be used as molecule name in the output table.
(Default: "Name" or "Drug Name" depending on the input table. "Row ID" if no such column is available.)

Append to existing file

If checked, the specified file is not overwritten. Instead, the output will be appended.
(Default: false)

Export all conformations

If selected, each conformation of a given molecule will be exported to the specified file.
(Default: true)

Export in the V3000 format

If selected, the V3000 variant of the chemical table file specification will be used.
(Default: false)

Export 2D-coordinates

This option is available if only a single conformation is exported per molecule. If selected, only 2D-coordinates will be written to the output Mol-file.
(Default: false)

Property Handling

Omit properties with missing values

If selected, the output file will not include properties that have missing values in the input table.
(Default: true)

Insert Properties

This panel lets you specify exactly which properties of the input table should be included in the output file.

Always include all columns

If selected, all columns of the input table will be included as properties in the output table.
(Default: true)

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