Extract Biological UnitsΒΆ

This floe uses Spruce OEExtractBioUnits to extract biological units. The required input is a molecule with an asymmetric unit from X-ray crystallography.

Extra Required Parameters

  • Dataset with DesignUnit to be modelled (data_source) : The dataset(s) to read records from
  • Log Field (Field Type: String) : The field to store messages to floe report
    Default: Log Field
  • Maximum number of atoms to process (integer) : Option to reject structures with larger than specified number of atoms.
    Default: 50000
  • Maximum number of parts to process (integer) : Option to reject structures with a larger than specified number of protein parts.
    Default: 24
  • Minimum sequence alignment score (integer) : Option to specify the lower threshold sequence alignment score.
    Default: 200
  • Prefer author records (boolean) : Option to use author generated BIOMT records over software generated ones.
    Default: True
  • Option to superpose biounits (boolean) : Option to superpose the generated biounits.
    Default: False
  • Failure Dataset (dataset_out) : Dataset with DesignUnit that failed to be successfully modelled.
    Default: failed_ExtractedBiologicalUnits
  • Output Dataset (dataset_out) : Dataset with Modelled DesignUnit.
    Default: ExtractedBiologicalUnits
  • Reference DU (data_source) : Dataset containing the reference DU.