Subset DesignUnit

This floe uses OEBio OESubsetDesignUnit to subset a designunit, the required input is a dataset with an OEDesignUnit.

Extra Required Parameters

• Log Field (Field Type: String) : The field to store messages to floe report

  Default: Log Field
• Convert R-groups to Hydrogen atoms (boolean) : Convert R-groups from broken covalent bonds due to deleted pieces to Hydrogen atoms.

  Default: True
• Components to keep in the subset (string) : Different components to keep in the subset.

  Default: [‘protein’, ‘nucleic’, ‘ligand’, ‘cofactors’, ‘solvent’, ‘other_ligands’, ‘other_cofactors’]

  Choices: protein, nucleic, ligand, solvent, metals, counter_ions, lipids, packing_residues, sugars, undefined, cofactors, excipients, polymers, post_translational, other_proteins, other_nucleics, other_ligands, other_cofactors
• Output Dataset (dataset_out) : Dataset with Modelled DesignUnit.

  Default: SubsetDesignUnits
• Dataset with DesignUnit to be modelled (data_source) : The dataset(s) to read records from
• Failure Dataset (dataset_out) : Dataset with DesignUnit that failed to be successfully modelled.

  Default: failed_SubsetDesignUnits