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DesignByCavityProximity: element not expected

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DesignByCavityProximity: element not expected


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.

Post Situation: 
Tue, 2020-01-28 05:16

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

Tue, 2020-01-28 16:11

Thanks for replying!

Here is the xml:


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

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

		<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"/>
		<LoopOver name="loop" iterations="4" mover_name="design_block"/>

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

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



Wed, 2020-01-29 09:23

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

I see. Thank you very much.

Tue, 2020-02-11 08:44