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This TaskOperation is deprecated. Use ResidueSelectors and OperateOnResidueSubset instead.
Allows specification of Residue Level TaskOperations based on residue properties specified with ResFilters .
Example:
<OperateOnCertainResidues name="PROTEINnopack">
<ResidueHasProperty property="PROTEIN"/> //Only one ResFilter per OperateOnCertainResidues block. The ResFilter comes first
<PreventRepackingRLT/> //Only one Residue level task operation per OperateOnCertainResidues block. The RLTO comes second
</OperateOnCertainResidues>
Residue Level TaskOperations control the packer at the residue level, in combination with ResidueSelectors.
Use these as a subtag (without the name) for OperateOnResidueSubset (or the deprecated OperateOnCertainResidues). Only one may be used per OperateOnResidueSubset/OperateOnCertainResidues tag.
Residue Level TaskOperations can also be declared as stand alone in their own tag <RESIDUE_LEVEL_TASK_OPERATIONS> and passed to DesignRestrictions.
Turn off design on the positions selected.
<RestrictToRepackingRLT name="(&string;)" />Turn off design and repacking on the positions selected.
<PreventRepackingRLT name="(&string;)" />Do not allow design to amino acid identities that are not listed (i.e. permit only those listed) at the positions selected.
<RestrictAbsentCanonicalAASRLT name="(&string;)" aas="(&string)"/>Except for the native amino acid, do not allow design to amino acid identities that are not listed (i.e. permit only those listed + native).
<RestrictAbsentCanonicalAASExceptNativeRLT name="(&string;)" aas="(&string;)" />Add the given "behavior" to the positions selected by the accompanying ResFilter.
<AddBehaviorRLT name="(&string;)" behavior="(&string)"/>Restrict design to not include a residue as an possibility in the task at a position unless it is the starting residue.
<DisallowIfNonnativeRLT name="(&string;)" disallow_aas="(&string;)" />During packing, extra rotamers can be used to increase sampling. Use this TaskOperation to specify for all residues at once what extra rotamers should be used.
Includes current rotamers of the pose in the rotamer set.
<IncludeCurrentRLT name="(&string;)" />Move only toward a lower cutoff for #neighbors w/i 10A that qualify a residue to be considered buried.
<ExtraChiCutoffRLT name="(&string;)" extrachi_cutoff="(18 &non_negative_integer;)" />preserves c-beta during rotamer building for selected residues. Under development and untested. Use at your own risk.
<PreserveCBetaRLT name="(&string;)" />Use these as a subtag for special OperateOnCertainResidues TaskOperation. Only one may be used per OperateOnCertainResidues, however a compound filter (Any/All/None) may be used to combine multiple filters in a single operation.
AnyResFilter, AllResFilter, NoResFilter combine the results of specified subfilters with the given boolean operation. Any number of subfilters may be declared.
e.g.
<AnyResFilter>
<ChainIs chain="A"/>
<ChainIs chain="B"/>
</AnyResFilter>
As task operations produce restriction masks, and therefor only prevent targets from repacking/designing, the most effective way to specify a set of residues for design or repack is the use of a double-negative task operation:
<OperateOnCertainResidues name="aromatic_apolar">
<NoResFilter>
<ResidueType aromatic="1" apolar="1"/>
</NoResFilter>
<PreventRepackingRLT/>
</OperateOnCertainResidues>
Restricts repacking to aromatic and apolar residues.
Convenience filter selects residues by type.
<ResidueType aromatic="(0 &bool)" apolar="(0 &bool)" polar="(0 &bool)" charged="(0 &bool)"/>
Selects or excludes residues based on the given residue property.
e.g. <ResidueHasProperty property=POLAR/>
set of residues based on their chain letter in the original PDB.
e.g. <ChainIs chain=A/>
e.g. <ResidueName3Is name3=ARG,LYS,GUA/>
e.g. <ResidueIndexIs indices=1,2,3,4,33/>
e.g. <ResiduePDBIndexIs indices=A.2,C.100,D.-10/>