Swap Metal(s)ΒΆ
This floe uses OEBio OEUpdateDesignUnit to swap metals in a designunit, the required input is a dataset with an OEDesignUnit.
Extra Required Parameters
Reassign charges (boolean) : Option to re-assign the formal charges on the swapped metals.Default: True Log Field (Field Type: String) : The field to store messages to floe reportDefault: Log Field Failure Dataset (dataset_out) : Dataset with DesignUnit that failed to be successfully modelled.Default: failed_MetalsSwappedDesignUnits Dataset with DesignUnit to be modelled (data_source) : The dataset(s) to read records from Output Dataset (dataset_out) : Dataset with Modelled DesignUnit.Default: MetalsSwappedDesignUnits