DesignByCavityProximity: element not expected

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    • January 28, 2020 at 1:16 pm #3335
      Anonymous

        Hello,

        I have been trying to use the taskOperation “DesignByCavityProximity,” but I get the following error:

        Error: Element ‘DesignByCavityProximity’: This element is not expected.

        Any help is appreciated, thank you.

      • January 29, 2020 at 12:11 am #15126
        Anonymous

          Sounds like an XML formatting error; post the XML (or the relevant parts)

          • January 29, 2020 at 5:23 pm #15128
            Anonymous

              Thanks for replying!

              Here is the xml: 


              
<ROSETTASCRIPTS>
              

              
<SCOREFXNS>
              
<ScoreFunction name="ref2015_full" weights="ref2015"/>
              
<ScoreFunction name="soft_rep_full" weights="ref2015_soft"/>
              
</SCOREFXNS>
              

              
<TASKOPERATIONS>
              
<InitializeFromCommandline name="init"/>
              
<RestrictToRepacking name="repack_only"/>
              
<DesignByCavityProximity name="des_cavity" region_shell="8.0" regions_to_design="100" repack_non_selected="1"/>
              
</TASKOPERATIONS>
              

              
<MOVERS>
              
<SetupForSymmetry name="setupsymm" definition="%%symm_file%%"/>
              
<SymPackRotamersMover name="soft_design" scorefxn="soft_rep_full" task_operations="init,des_cavity"/>
              
<SymRotamerTrialsMover name="RTmin" scorefxn="ref2015_full" task_operations="init,repack_only"/>
              
<SymMinMover name="soft_min" scorefxn="soft_rep_full" chi="1" bb="1" jump="ALL"/>
              
<ParsedProtocol name="design_block">
              
<Add mover_name="soft_design"/>
              
<Add mover_name="soft_min"/>
              
<Add mover_name="RTmin"/>
              
</ParsedProtocol>
              
<LoopOver name="loop" iterations="4" mover_name="design_block"/>
              
</MOVERS>
              

              
<FILTERS>
              
<Holes name="holes" threshold="100" confidence="0"/>
              
</FILTERS>
              

              
<PROTOCOLS>
              
<Add mover="setupsymm"/>
              
<Add mover_name="loop"/>
              
<Add filter_name="holes"/>
              
</PROTOCOLS>
              

              
</ROSETTASCRIPTS>

               

          • February 7, 2020 at 11:11 pm #15140
            Anonymous

              Unfortunately, the DesignByCavityProximityOperation is still classified as a “development” object in the code, and as such is not availible in the public release of Rosetta.

              • February 11, 2020 at 4:44 pm #15143
                Anonymous

                  I see. Thank you very much.

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