maxsub calculation in scoring app

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    • #887

        Dear Rosetta,

        I’m trying to calculate maxsub values between a native PDB structure and a set of ab-initio predicted decoy structures using score.linuxgccrelease. According to the manual score.linuxgccrelease should print out maxsub if a native structure is provided. However, running the following command:

        score.linuxgccrelease -in:file:s S_00000006_58.pdb -native 1ctfA.pdb -score_app::superimpose_to_native

        returns only a RMSD value:

        SCORE: score fa_atr fa_rep fa_sol fa_intra_rep pro_close fa_pair hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_ss_dst dslf_cs_ang dslf_ss_dih dslf_ca_dih rama omega fa_dun p_aa_pp
        ref irms rms description
        SCORE: -233.645 -397.017 41.869 181.884 0.780 0.489 -10.109 -56.097 -4.889 -3.594 -3.563 0.000 0.000 0.000 0.000 -8.236 7.630 48.083 -8.254 –
        2.620 0.000 10.396 S_00000006_58_0001

        Is there any other way how I could get to my maxsub values using ROSETTA.


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