PDB Writer

The PDB Writer node saves macromolecule complexes to PDB files.

Options

Settings

Output directory

Path to the output directory that should hold the created PDB files.

Output file name: Source file name

The output file name will be defined as the former file name of the macromolecule. An optional suffix can be added to differentiate it from the old file name.
(Default: The former file name of the macromolecule, no prefix)

Output file name: Macromolecule name

The output file name will be defined as the name of the macromolecule. An optional suffix can be added.
(Default: The name of the macromolecule, no suffix)

Output file name: Custom name

Use a custom file name to be used for each output file. The row number is added as a prefix to differentiate the files from each other.

Export Ligand

Export ligand molecules.
(Default: enabled)

Export Environment

Export the environment of the ligand.
(Default: enabled)

Include Hydrogens

If selected, hydrogens will be included in the output file. Unchecking this option can significantly decrease the output file size.
(Default: enabled)

gz Compressed

Compresses output in gz format.
(Default: disabled)

zip Compressed

Compresses output in zip format.
(Default: disabled)

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