Hello, I encountered an error while attempting to use the 'SapScoreMetric' in RosettaScript.
I encountered the following error, but when I exclude the 'SapScoreMetric' parts, it works well.
---------------------------------------------------------------
[ ERROR ]: An issue with your Rosetta run was detected
Please correct the following issue and retry:
SimpleMetric sap_score not found in basic::datacache::DataMap.
---------------------------------------------------------------
I installed the latest version of Rosetta (Rosetta 2023.45)
In my RosettaScript, I used 'SapScoreMetric' as shown below:
<SIMPLE_METRICS>
<SapScoreMetric name="sap_score_binder" score_selector="chainB" />
</SIMPLE_METRICS>
...
<PROTOCOLS>
<Add metrics="sap_score_binder"/>
...
</PROTOCOLS>
and my command is as shown below:
/usr/bin/mpirun $ROSETTA3/bin/rosetta_scripts.cxx11threadmpiserialization.linuxgccrelease \
-parser:protocol inputs/my_script.xml \
-missing_density_to_jump \
-optimization::default_max_cycles 200 \
-jd2:failed_job_exception false \
-jd2:ntrials 1 \
-detect_disulf 1 \
-out:path:pdb results \
-nstruct 20 \
-l pdb_list
I would appreciate any advice or opinions.