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Calculating SAP score using RosettaScripts

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Calculating SAP score using RosettaScripts


I am trying to calculate the per residue SAP scores of a protein structure using Rosetta scripts. The .xml script I am using is shown below.









        <PerResidueSapScoreMetric name="sapscore"/>



         <RunSimpleMetrics name="run_metrics1" metrics="sapscore"/>



        <Add mover_name="run_metrics1"/>



I run the xml script using the command ../bin/rosetta_scripts.default.linuxgccrelease -s abc.pdb -parser:protocol sapscore.xml

I am getting the following error:

Error messages were:From line 9:Error: Element 'PerResidueSapScoreMetric': This element is not expected. Expected is one of ( CompositeEnergyMetric, DihedralDistanceMetric, ElectrostaticComplementarityMetric, HbondMetric, InteractionEnergyMetric, InteractionGraphSummaryMetric, PerResidueClashMetric, PerResidueDensityFitMetric, PerResidueEnergyMetric, PerResidueGlycanLayerMetric ).

I got the PerResidueSapScoreMetric from . Kindly let me know if there is something wrong with my script.



Post Situation: 
Fri, 2023-05-12 11:03

Which version of Rosetta are you using? The PerResidueSapScoreMetric shoud be present in Rosetta 3.13 and all the weekly releases from 2021 on.

Fri, 2023-05-12 11:22

I am using Rosetta/3.12-foss-2019a. I will work with my IT people to get the latest one. Thanks for the reply.

Fri, 2023-05-12 11:49