Member Site › Forums › Rosetta 3 › Rosetta 3 – General › Error using FilterScan with rosettascripts
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December 13, 2016 at 10:29 pm #2550Anonymous
Hi,
I’m trying to perform a residue scanning of an interface in order to identify potential mutations that can improve affinity. I tried using the FilterScan filter:
<ROSETTASCRIPTS>
<SCOREFXNS>
<t14 weights=”talaris2014″/>
</SCOREFXNS>
<TASKOPERATIONS>
<InitializeFromCommandline name=cmdTask/>
<RestrictToRepacking name=repackOnly/>
<ReadResfile name=resfile filename=%%resfile%%/>
</TASKOPERATIONS>
<FILTERS>
<ScoreType name=”tot_score” scorefxn=t14 threshold=1.0/>
<Ddg name=”calc_ddg” scorefxn=t14 jump=2/>
#FilterScan name=”mut_scan” scorefxn=t14 task_operations=cmdTask,resfile filter=tot_score delta=True/>
<FilterScan name=”mut_scan” scorefxn=t14 task_operations=cmdTask,resfile filter=tot_score jump=2/>
</FILTERS>
<MOVERS>
<PackRotamersMover name=repack task_operations=cmdTask,repackOnly/>
<MinMover name=min bb=0 chi=1 jump=0/>
</MOVERS>
<APPLY_TO_POSE>
</APPLY_TO_POSE>
<PROTOCOLS>
<Add mover=repack/>
<Add filter=mut_scan/>
</PROTOCOLS>
</ROSETTASCRIPTS>
This throws an error:
<FilterScan filter=tot_score jump=2 name=mut_scan scorefxn=t14 task_operations=cmdTask,resfile/>
available options are: confidence, delta, dump_pdb, dump_pdb_name, filter, keep_native, name, relax_mover, report_all, resfile_general_property, resfile_name, rtmin, score_log_file, scorefxn, task_operations, triage_filter,
ERROR: ‘jump’ is not a valid option for FilterScan
ERROR:: Exit from: src/utility/tag/Tag.cc line: 174
If I remove the “jump” keyword, this error goes away. I’m using “rosetta_src_2016.46.59086_bundle”.
Also, is this the most appropriate filter to be using to scan for affinity-enhancing mutations?
Thanks in advance.
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