DesignByCavityProximity: element not expected

[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.

[Anonymous]

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

[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>

 

[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.

[Anonymous]

I see. Thank you very much.

[Author]

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