Question about CartesianMD

[Anonymous]

Hi,

I am using Rosetta 3.8 and trying to use the CartesianMD mover in a RosettaScript. This is what I put in the MOVERS section:

<CartesianMD name=”md1test” scorefxn=”talaris2014″ rattle=”true” scorefxn_obj=”talaris2014″ nstep=”1000″ temp=”300″ premin=”50″ postmin=”200″ report=”20″ report_scorecomp=”1″ selectmode=”minobj”  /> 

And after running with some general input options it gave me this error message: 

Error: Element ‘CartesianMD’, attribute ‘scorefxn’: The attribute ‘scorefxn’ is not allowed.

The attribute term “scorefxn” exists in the description page for CartesianMD (https://www.rosettacommons.org/docs/latest/scripting_documentation/RosettaScripts/Movers/movers_pages/CartesianMD) so I am not sure what went wrong there…Did I forget something or set something wrong? 

Thanks for your help! 

Orion

 

[Anonymous]

This is a bug that was recently fixed. If you use Rosetta 3.9 instead of Rosetta 3.8, the bugfix should be included.

If you want to keep using Rosetta 3.8, you’ll have to edit the source and recompile. Go into Rosetta/main/source/src/protocols/md/CartesianMD.cc around line 954 or so, and change the line

attlist + XMLSchemaAttribute( "scorefxns", xs_string,

to be

attlist + XMLSchemaAttribute( "scorefxn", xs_string,

(Remove the ‘s’). Then recompile with the same scons command you used before.

[Anonymous]

Hi Rocco,

Thanks for your help. It’s working!!

 

Orion

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