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features.xml
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features.xml
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<ROSETTASCRIPTS>
<TASKOPERATIONS>
<ExtraRotamersGeneric name="extra_chi" ex1="0" ex2="0" extrachi_cutoff="0"/>
<ReadResfile name="resfile" filename="%%resfile%%"/>
SelectByDensityFit name=dens_fit threshold=0.72 invert=0/>
</TASKOPERATIONS>
<MOVERS>
<ReportToDB name="features_reporter" database_mode="sqlite3" database_name="%%outdir%%/%%pdb%%.%%type%%.db3" database_partition="%%database_partition%%" batch_description="Rotamer recovery">
<ResidueFeatures/>
# B-Factors for filtering and PDB identification for looking at the structures
<PdbDataFeatures/>
# The RTMin protocol repacks one sidechain at a time (in its native environment)
<RotamerRecoveryFeatures scorefxn="commandline" protocol="RRProtocolRTMin" comparer="RRComparerElecDensDiff" task_operations="extra_chi,resfile" nonideal="0" recovery_threshold="0.13"/>
</ReportToDB>
</MOVERS>
<PROTOCOLS>
<Add mover_name="features_reporter"/>
</PROTOCOLS>
</ROSETTASCRIPTS>