You are here only shows total_score and with all zeros

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Last post only shows total_score and with all zeros

Hi Rosetta Team!
I am trying to use RosettaScripts to design side-chain conformations to a protein backbone.
Unfortunately, the output only shows total_score and with all zeros.

SCORE: total_score description 
SCORE:       0.000 d1fnfa2_d3n1fc_design_2061_0001
SCORE:       0.000 d1fnfa2_d3n1fc_design_2061_0002
SCORE:       0.000 d1fnfa2_d3n1fc_design_2061_0003
SCORE:       0.000 d1fnfa2_d3n1fc_design_2061_0004
SCORE:       0.000 d1fnfa2_d3n1fc_design_2061_0005
SCORE:       0.000 d1fnfa2_d3n1fc_design_2061_0006
SCORE:       0.000 d1fnfa2_d3n1fc_design_2061_0007
SCORE:       0.000 d1fnfa2_d3n1fc_design_2061_0008

But I want to have all the individual energy terms like:

SCORE: total_score       score dslf_fa13    fa_atr    fa_dun   fa_elec fa_intra_rep       fa_rep       fa_sol hbond_bb_sc hbond_lr_bb    hbond_sc hbond_sr_bb linear_chainbreak             omega overlap_chainbreak            p_aa_pp pro_close      rama       ref      time yhh_planarity description 

May I know if there is something wrong with my RosettaScripts and the flags file below?

cat repack.xml
	 <ScoreFunction name="ref15sfxn" weights="ref2015.wts" />




		<ReadResfile name="r1" filename="resfile-NATAA.txt"/>


		<PackRotamersMover name="p1" scorefxn="ref15sfxn" task_operations="r1"/>

		<MinMover name="min" scorefxn="ref15sfxn" chi="1" bb="1" type="dfpmin_armijo_nonmonotone" tolerance="0.01"/>
		Runs full atom side-chain and backbone minimization

		<ParsedProtocol name="repack_min">
		  <Add mover_name="p1"/>
		  <Add mover_name="min"/>

        <GenericMonteCarlo name="repack_min_MC" scorefxn_name="ref15sfxn" mover_name="repack_min" trials="100"/>



		Runs movers and filters in this order
		<Add mover_name="repack_min_MC"/>




cat flags
-database /data/cltam/script/rosetta_src_2021.16.61629_bundle/main/database/
-s ./d1fnfa2_d3n1fc_design_2061.pdb
-extrachi_cutoff 5 
-nstruct 100
-jd2:ntrials 10 
-parser:protocol ./repack.xml
-out:path:all ./


Thank you!

Post Situation: 
Mon, 2022-06-06 20:04

You can specify which scorefunction to use for the final scoring by putting a tag such as `<OUTPUT scorefxn="ref15sfxn" />` after the PROTOCOLS block

Tue, 2022-06-07 04:51

Works perfectly now! Thanks a lot! :)

Tue, 2022-06-07 19:18