Back to Filters page.
Described in Whitehead et al., Nat Biotechnol. 30:543
Scan all mutations allowed by task_operations
and test against a filter. Produces a report on the filter's values for each mutation as well as a resfile that says which mutations are allowed. The filter can work with symmetry poses; simply use SetupForSymmetryMover and run. It will figure out that it needs to do symmetric packing for itself.
<FilterScan name="(&string)" scorefxn="(score12 &string)" task_operations="(comma separated list)" triage_filter="(true_filter &string)" dump_pdb="(0 &bool)" filter="(&string)" report_all="(0 &bool)" relax_mover="(null &string)" resfile_name="([PDB].resfile &string)" resfile_general_property="('nataa' &string)" delta="(0 &bool)" unbound="(0 &bool)" jump="(1 &int)" rtmin="(0&bool)" delta_filters="(comma delimited list of filters)" score_log_file="('' &string)"/>
triage_filter
will be evaluated by filter
and reported in the tracer report. If report_all
is true, report the value of filter
for all evaluated mutations. (Note this will increase the number of calls to filter
/the computational cost.)task_operations
, but is limited to an 8 Angstrom shell around each mutated residue.)To compute a baseline, the entire pose is first repacked (with include current, no design, initialized from the comandline, but ignoring the taskoperations), and relax_mover is called. This can be useful to get the pose's energy down. If delta_filters are specified then before introducing mutations to any given position, the mutation to self is made (say Arg25->Arg), repacked/rtmin,relaxed as usual and each filter's value is evaluated. Then, these values are set as the baselines for each DeltaFilter.
Filter and triage_filter are potentially confusing. You can use the same filter for both. Triage_filter can be more involved, including compound filter statements, whereas the filter option is reserved to filters that have meaningful report_sm methods (ddG, energy...).
The reported values from filter will appear in a Tracer called ResidueScan, so -mute all -unmute ResidueScan will only output the necessary information
Use the unbound option only on a Prepacked structure with jump_number=1, o/w the reference energy (baseline) won't make any sense.