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DesignByCavityProximity: element not expected

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DesignByCavityProximity: element not expected
#1

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.

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Tue, 2020-01-28 05:16
karenjgonzalez

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

Tue, 2020-01-28 16:11
smlewis

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>

 

Wed, 2020-01-29 09:23
karenjgonzalez

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.

Fri, 2020-02-07 15:11
rmoretti

I see. Thank you very much.

Tue, 2020-02-11 08:44
karenjgonzalez