Member Site Forums Rosetta++ Rosetta++ – General how do you test if your rosetta.xxx is indeed correctly built? Reply To: how do you test if your rosetta.xxx is indeed correctly built?

#3938
Anonymous

    > If you have a rosetta.xxx successfully generated, you can run a simple test with “-s xxx.pdb -design -fixbb -natrot” to get native structure energy information

    [tru@sillage samplerun]$ pwd
    /rosetta_documentation/docking/tutorial/examples/samplerun

    [tru@sillage samplerun]$ ../../../../../rosetta++/rosetta.intel32-intel9-32bits.stripped -s test.pdb -design -fixbb -natrot
    command executed: ../../../../../rosetta++/rosetta.intel32-intel9-32bits.stripped -s test.pdb -design -fixbb -natrot
    [T/F OPT]Default FALSE value for [-no_option_display]
    [T/F OPT]Default FALSE value for [-args_file]
    [STR OPT]Default value for [-paths] paths.txt.
    [T/F OPT]Default FALSE value for [-version]
    [T/F OPT]Default FALSE value for [-score]
    [T/F OPT]Default FALSE value for [-abinitio]
    [T/F OPT]Default FALSE value for [-refine]
    [T/F OPT]Default FALSE value for [-assemble]
    [T/F OPT]Default FALSE value for [-idealize]
    [T/F OPT]Default FALSE value for [-relax]
    [T/F OPT]Default FALSE value for [-abrelax]
    [T/F OPT]Default FALSE value for [-abrelax_mode]
    [T/F OPT]New TRUE value for [-design]
    [T/F OPT]Default FALSE value for [-onlypack]
    [T/F OPT]New TRUE value for [-fixbb]
    [T/F OPT]Default FALSE value for [-pack_in_parallel]
    [T/F OPT]Default FALSE value for [-directed_design]
    [REAL OPT]Default value for [-interface_electrostatic_complementarity_shift] 0
    [T/F OPT]Default FALSE value for [-reverse_comp]
    [INT OPT]Default value for [-conv_limit_mod] 3
    [STR OPT]Default value for [-chain_in_preferred_state] none.
    [STR OPT]Default value for [-chain_in_ref_state] none.
    [T/F OPT]Default FALSE value for [-rotamerize]
    [T/F OPT]Default FALSE value for [-point_mutation]
    [T/F OPT]Default FALSE value for [-mcmin_trials]
    [T/F OPT]Default FALSE value for [-output_design_movie]
    [T/F OPT]Default FALSE value for [-no_new_CG]
    [T/F OPT]Default FALSE value for [-multistate]
    [T/F OPT]Default FALSE value for [-dna_motifs]
    [REAL OPT]Default value for [-motifs_close_enough] 1.20000005
    [REAL OPT]Default value for [-motifs_far_dist] 5
    [REAL OPT]Default value for [-Motifs_bump_value] 100
    [REAL OPT]Default value for [-motifs_match_weight] 1
    [INT OPT]Default value for [-motifs_rots_required] 2
    ….
    [REAL OPT]Default value for [-mod_hhrep_height] 1
    [REAL OPT]Default value for [-mod_hhrep_width] 1
    [REAL OPT]Default value for [-mod_hhrep_center] 2.79999995
    [REAL OPT]Default value for [-mod_hhrep_exponent] 4
    [REAL OPT]Default value for [-smooth_etable_ljweight] 1.15999997
    [REAL OPT]Default value for [-smooth_etable_solvweight] 1.5
    [STR OPT]New value for [-s] test.pdb.
    Starting structure: test
    Reading ../../../../../rosetta_database/Rama_smooth_dyn.dat_ss_6.4
    Reading ../../../../../rosetta_database/phi.theta.36.HS.resmooth
    Reading ../../../../../rosetta_database/phi.theta.36.SS.resmooth
    [STR OPT]Default value for [-atom_vdw_set] default.
    [T/F OPT]Default FALSE value for [-IUPAC]
    Atom_mode set to all
    [STR OPT]Default value for [-paircutoffs] paircutoffs.
    Reading ../../../../../rosetta_database/paircutoffs
    [T/F OPT]Default FALSE value for [-interface_ds]
    [T/F OPT]Default FALSE value for [-decoystats]
    set_decoystats_flag: from,to F F
    [T/F OPT]Default FALSE value for [-decoyfeatures]
    [T/F OPT]Default FALSE value for [-t32s3]
    [T/F OPT]Default FALSE value for [-evolution]
    [T/F OPT]Default FALSE value for [-evol_recomb]
    [T/F OPT]Default FALSE value for [-profile]
    [T/F OPT]Default FALSE value for [-dummy_model]
    [T/F OPT]Default FALSE value for [-saxs_model]
    Profile defined from q = 0 to 1.
    ERROR:: Can’t find starting structure: ../prepack/test.pdb
    ERROR:: Exit from: input_pdb.cc line: 3028

    -> *** Can’t find starting structure: ../prepack/test.pdb ***
    I guess I need another command to generate the “prepacked” pdb ;)

    Tru