The BundleReporter writes all of the helical bundle parameters of a parametrically-generated pose (as might be created with the MakeBundle or BundleGridSampler movers) to the logfile. This filter is mainly intended as a reporter, though it can filter based on energy (much like the ScoreType filter) if one so wishes. Its default behaviour is to write bundle parameters and return "true" (always passing).
Options for this filter include:
<BundleReporter name="(&string)" scorefxn="(&string)" score_type="('total_score' &string)" behavior="('ALWAYS_TRUE' &string)" threshold="(0.0 &Real)" report_sequence="(false &bool)" use_three_letter_code="(false &bool)" />
This filter can be useful in cases in which one wants to do very large sampling runs with the BundleGridSampler mover to identify designable regions of parametric space, without producing PDB or silent file output. In this case, one's protocol might be something like the following:
The script outlined above could be run with the
-mute all and
-unmute protocols.helical_bundle.BundleReporterFilter.REPORT flags. These flags will mute all output except the reports generated by the filter, summarizing the helical bundle parameters for those designs passing filters.