Mutate Residue(s)ΒΆ
This floe uses Spruce OEMutateResidue to perform single point mutationsin a designunit, the required input is a dataset with an OEDesignUnit.
Extra Required Parameters
Delete Clashing Solvent (boolean) : The mutation builder will remove a water if it clashes with where the residue is builtDefault: True Log Field (Field Type: String) : The field to store messages to floe reportDefault: Log Field Mutate Multiple Residues (string) : Mutate multiple residues (format is RESNAME:RESNUM:ICODE:CHAINID[:FRAGNO:ALTLOC],NEWRESNAME - separate multiple with | delimiter., e.g. ALA:125: :A,LYS|THR:300: A:TRP Output Dataset (dataset_out) : Dataset with Modelled DesignUnit.Default: MutatedResiduesDesignUnits Add hydrogens to DU (boolean) : If off, then the DU will not be (re-)protonatedDefault: True Failure Dataset (dataset_out) : Dataset with DesignUnit that failed to be successfully modelled.Default: failed_MutatedResiduesDesignUnits Generate tautomer (boolean) : Options to set whether to generate tautomers.Default: True Optimize exp protons (boolean) : Option to set whether to optimize exp protons.Default: True Log Field (Field Type: String) : The field to store messages to floe reportDefault: Log Field Dataset with DesignUnit to be modelled (data_source) : The dataset(s) to read records from