Last updated 6 April 2017 by Vikram K. Mulligan (vmullig@uw.edu).
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Add or remove variant types on specified residues.
<ModifyVariantType name="[name]" add_type="[type[,type]...]" remove_type="[type[,type...]]" residue_selector="(&string)" update_polymer_bond_dependent_atoms="(&bool,false)" />
Adds (if missing) or removes (if currently added) variant types to the residues specified in the given task operations. Use a ResidueSelector to select specific residues. Optionally, the positions of atoms that are dependent on polymeric connections (e.g. the amide proton, the carbonyl oxygen, the N-methyl group in N-methylated amino acids, etc.) may be updated after modifying the variant type (update_polymer_bond_dependent_atoms="true"
).
The following script adds the C-terminal amidation variant type to an 18-residue peptide imported from a PDB file. (It would have to be run with the -in:file:s
commandline option to specify the PDB file.)
<ROSETTASCRIPTS>
<RESIDUE_SELECTORS>
<Index name="select_cterm" resnums="18" />
</RESIDUE_SELECTORS>
<MOVERS>
<ModifyVariantType name="vartype" add_type="CTERM_AMIDATION" residue_selector="select_cterm" />
</MOVERS>
<PROTOCOLS>
<Add mover="vartype" />
</PROTOCOLS>
</ROSETTASCRIPTS>