Message boards : Number crunching : Problem with view structure predictions
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caesar1987 Send message Joined: 28 Nov 06 Posts: 13 Credit: 22,268 RAC: 0 |
when i do that, what is here https://boinc.bakerlab.org/rosetta/rah_view_predictions.php the file S_XXXX_XXXX.pdb or F_XXXX_XXXX.pdb will not be created here are logs ****stderr.txt**** Can't set up shared mem: -1 Will run in standalone mode. # cpu_run_time_pref: 7200 Too many restarts with no progress. Keep application in memory while preempted. ====================================================== DONE :: 1 starting structures built 10 (nstruct) times This process generated 0 decoys from 0 attempts ====================================================== BOINC :: Watchdog shutting down... BOINC :: BOINC support services shutting down... ****stdout.txt**** [STR OPT]Default value for [-description_file] rosetta_description.txt. [REAL OPT]Default value for [-cpu_frac] 10 [REAL OPT]Default value for [-frame_rate] 10 [INT OPT]Default value for [-cpu_run_time] 28800 command executed: rosetta_5.45_windows_intelx86.exe -extract -all -s aaz029.out [T/F OPT]Default FALSE value for [-args_file] [STR OPT]Default value for [-paths] paths.txt. [T/F OPT]Default FALSE value for [-unix_paths] -------------------------------------------- WARNING:: paths.txt file not found!! Setting all paths to . Using default fragment file names: aa*****03_05.200_v1_3 aa*****03_05.200_v1_3 -------------------------------------------- [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]Default FALSE value for [-design] [T/F OPT]Default FALSE value for [-dock] [T/F OPT]Default FALSE value for [-membrane] [T/F OPT]Default FALSE value for [-loops] [T/F OPT]Default FALSE value for [-pdbstats] [T/F OPT]Default FALSE value for [-interface] [T/F OPT]Default FALSE value for [-barcode_stats] [T/F OPT]Default FALSE value for [-pKa] [T/F OPT]Default FALSE value for [-pose_looping] [T/F OPT]Default FALSE value for [-domain_insertion] [T/F OPT]Default FALSE value for [-pose1] [T/F OPT]Default FALSE value for [-bk_min] [T/F OPT]Default FALSE value for [-adna] [T/F OPT]Default FALSE value for [-pdna] [T/F OPT]Default FALSE value for [-prna] [T/F OPT]Default FALSE value for [-jumping] [T/F OPT]Default FALSE value for [-pose_abinitio] [T/F OPT]Default FALSE value for [-pose_rhiju] [T/F OPT]New TRUE value for [-extract] [T/F OPT]Default FALSE value for [-jump_relax] [T/F OPT]Default FALSE value for [-cst_mode] [T/F OPT]Default FALSE value for [-mj_min] Rosetta mode: pose1 [T/F OPT]Default FALSE value for [-chain] [T/F OPT]Default FALSE value for [-protein] [T/F OPT]Default FALSE value for [-series] [INT OPT]Default value for [-nstruct] 10 [T/F OPT]Default FALSE value for [-read_all_chains] [T/F OPT]Default FALSE value for [-preserve_header] [T/F OPT]Default FALSE value for [-use_pdb_numbering] [T/F OPT]Default FALSE value for [-flip_symmetric_sidechains] [T/F OPT]Default FALSE value for [-fa_input] [T/F OPT]Default FALSE value for [-overwrite] [T/F OPT]Default FALSE value for [-no_filters] [T/F OPT]Default FALSE value for [-output_pdb_gz] [T/F OPT]Default FALSE value for [-output_silent_gz] [T/F OPT]Default FALSE value for [-output_scorefile_gz] [T/F OPT]Default FALSE value for [-pose_silent_out] [T/F OPT]Default FALSE value for [-sasapack_bvalues] [T/F OPT]Default FALSE value for [-cenlist_values] [T/F OPT]Default FALSE value for [-termini] [T/F OPT]Default FALSE value for [-Nterminus] [T/F OPT]Default FALSE value for [-Cterminus] [T/F OPT]Default FALSE value for [-use_trie] [T/F OPT]Default FALSE value for [-no_trie] [T/F OPT]Default FALSE value for [-use_conformer] [T/F OPT]Default FALSE value for [-use_bbind_conformer] [T/F OPT]Default FALSE value for [-trials_trie] [T/F OPT]Default FALSE value for [-no_trials_trie] [T/F OPT]Default FALSE value for [-pose_relax] [T/F OPT]Default FALSE value for [-output_interaction_graph_memory_usage] [T/F OPT]Default FALSE value for [-read_interaction_graph] [T/F OPT]Default FALSE value for [-write_interaction_graph] [STR OPT]Default value for [-ig_file] . [T/F OPT]Default FALSE value for [-packer_precompute_only] [T/F OPT]Default FALSE value for [-tight_memory_restrictions] [T/F OPT]Default FALSE value for [-lazy_ig] [T/F OPT]Default FALSE value for [-linmem_ig] [T/F OPT]Default FALSE value for [-minimalist_ig] [T/F OPT]Default FALSE value for [-use_sasa_pack_score] [T/F OPT]Default FALSE value for [-output_dot_kinemage] [T/F OPT]Default FALSE value for [-pack_low_temp_annealing] [T/F OPT]Default FALSE value for [-multi_cool_annealer] [T/F OPT]Default FALSE value for [-no_his_his_pairE] [T/F OPT]Default FALSE value for [-silent_input] [T/F OPT]Default FALSE value for [-timer] [T/F OPT]Default FALSE value for [-count_attempts] [T/F OPT]Default FALSE value for [-status] [T/F OPT]Default FALSE value for [-decoy_status] [T/F OPT]Default FALSE value for [-ise_movie] [T/F OPT]Default FALSE value for [-output_all] [T/F OPT]Default FALSE value for [-output_chi_silent] [T/F OPT]Default FALSE value for [-accept_all] [T/F OPT]Default FALSE value for [-skip_missing_residues] [STR OPT]Default value for [-cst] cst. [STR OPT]Default value for [-dpl] dpl. [STR OPT]Default value for [-resfile] none. [STR OPT]Default value for [-equiv_resfile] none. [T/F OPT]Default FALSE value for [-auto_resfile] [T/F OPT]Default FALSE value for [-chain_inc] [T/F OPT]Default FALSE value for [-full_filename] [T/F OPT]Default FALSE value for [-map_sequence] [INT OPT]Default value for [-max_frags] 200 [T/F OPT]Default FALSE value for [-output_centroids] [STR OPT]Default value for [-protein_name_prefix] . [STR OPT]Default value for [-frags_name_prefix] . [T/F OPT]Default FALSE value for [-protein_name_prefix_homolog] [T/F OPT]Default FALSE value for [-use_homolog_env_stats] [T/F OPT]Default FALSE value for [-use_homolog_pair_stats] [T/F OPT]Default FALSE value for [-use_homolog_env_stats_in_farlx] [T/F OPT]Default FALSE value for [-use_homolog_pair_stats_in_farlx] [T/F OPT]Default FALSE value for [-output_hbond_info] [REAL OPT]Default value for [-vdw_reweight] 1 [REAL OPT]Default value for [-env_reweight] 1 [REAL OPT]Default value for [-pair_reweight] 1 [REAL OPT]Default value for [-cb_reweight] 1 [REAL OPT]Default value for [-sheet_reweight] 1 [REAL OPT]Default value for [-ss_reweight] 1 [REAL OPT]Default value for [-hs_reweight] 1 [REAL OPT]Default value for [-rsigma_reweight] 1 [REAL OPT]Default value for [-rg_reweight] 1 [REAL OPT]Default value for [-pc_reweight] 1 [REAL OPT]Default value for [-fa_atr_reweight] 1 [REAL OPT]Default value for [-fa_rep_reweight] 1 [REAL OPT]Default value for [-fa_dun_reweight ] 1 [REAL OPT]Default value for [-fa_pair_reweight] 1 [REAL OPT]Default value for [-fa_plane_reweight] 1 [REAL OPT]Default value for [-fa_solv_reweight] 1 [REAL OPT]Default value for [-fa_ref_reweight ] 1 [REAL OPT]Default value for [-fa_pH_reweight] 1 [REAL OPT]Default value for [-fa_h2o_reweight] 1 [REAL OPT]Default value for [-fa_prob1b_reweight] 1 [REAL OPT]Default value for [-fa_gb_elec_reweigh] 1 [REAL OPT]Default value for [-hb_srbb_reweight] 1 [REAL OPT]Default value for [-hb_lrbb_reweight] 1 [REAL OPT]Default value for [-hb_sc_reweight] 1 [REAL OPT]Default value for [-chainbreak_reweight] 1 [REAL OPT]Default value for [-dummy_model_reweight] 1 [REAL OPT]Default value for [-saxs_model_reweight] 1 [REAL OPT]Default value for [-Wplane_total] 0 [T/F OPT]Default FALSE value for [-fa_max_dis] [T/F OPT]Default FALSE value for [-hydrogen_interaction_cutoff] [T/F OPT]Default FALSE value for [-find_disulf] [T/F OPT]Default FALSE value for [-fix_disulf] [T/F OPT]Default FALSE value for [-enable_dna] [T/F OPT]Default FALSE value for [-enable_rna] [T/F OPT]Default FALSE value for [-dna_interface] [T/F OPT]Default FALSE value for [-enable_ligand_aa] [T/F OPT]Default FALSE value for [-phospho_ser] [T/F OPT]Default FALSE value for [-surface] [T/F OPT]Default FALSE value for [-loops] [T/F OPT]Default FALSE value for [-taboo] [T/F OPT]Default FALSE value for [-vary_omega] [T/F OPT]Default FALSE value for [-fine_hb_categories] [T/F OPT]Default FALSE value for [-geometric_sol] [T/F OPT]Default FALSE value for [-multi_chain] [T/F OPT]Default FALSE value for [-ex1] [T/F OPT]Default FALSE value for [-ex2] [T/F OPT]Default FALSE value for [-ex3] [T/F OPT]Default FALSE value for [-ex4] [T/F OPT]Default FALSE value for [-ex1aro] [T/F OPT]Default FALSE value for [-ex1aro_half] [T/F OPT]Default FALSE value for [-ex2aro_only] [T/F OPT]Default FALSE value for [-exOH] [INT OPT]Default value for [-extrachi_cutoff] 18 [T/F OPT]Default FALSE value for [-rot_pert] [T/F OPT]Default FALSE value for [-rot_pert_input] [T/F OPT]Default FALSE value for [-exdb] [T/F OPT]Default FALSE value for [-use_electrostatic_repulsion] [T/F OPT]Default FALSE value for [-explicit_h2o] [T/F OPT]Default FALSE value for [-solvate] [T/F OPT]Default FALSE value for [-pH] [T/F OPT]Default FALSE value for [-try_both_his_tautomers] [T/F OPT]Default FALSE value for [-hydrate_dna] [T/F OPT]Default FALSE value for [-ex_dna_waters] [T/F OPT]Default FALSE value for [-minimize_rot] [T/F OPT]Default FALSE value for [-read_hetero_h2o] [T/F OPT]Default FALSE value for [-Wint_score_only] [T/F OPT]Default FALSE value for [-Wint_repack_only] [T/F OPT]Default FALSE value for [-ligand] [T/F OPT]Default FALSE value for [-enzyme_design] [T/F OPT]Default FALSE value for [-score_contact_flag] [T/F OPT]Default FALSE value for [-score_contact_weight] [T/F OPT]Default FALSE value for [-score_contact_threshold] [T/F OPT]Default FALSE value for [-scorefxn] default centroid scorefxn: 4 default fullatom scorefxn: 12 [INT OPT]Default value for [-run_level] 0 [T/F OPT]Default FALSE value for [-silent] [T/F OPT]Default FALSE value for [-output_silent_gz] [T/F OPT]Default FALSE value for [-verbose] [T/F OPT]Default FALSE value for [-gush] [T/F OPT]Default FALSE value for [-yap] [T/F OPT]Default FALSE value for [-chat] [T/F OPT]Default FALSE value for [-inform] [T/F OPT]Default FALSE value for [-quiet] run level: 0 [T/F OPT]Default FALSE value for [-benchmark] [T/F OPT]Default FALSE value for [-debug] [INT OPT]Default value for [-sym_des_units] 1 [T/F OPT]Default FALSE value for [-mj_min] [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] aaz029.out. Starting structure: aaz029.out Reading .Rama_smooth_dyn.dat_ss_6.4.gz Reading .phi.theta.36.HS.resmooth.gz Reading .phi.theta.36.SS.resmooth.gz [STR OPT]Default value for [-atom_vdw_set] default. [T/F OPT]Default FALSE value for [-IUPAC] Atom_mode set to all Reading .paircutoffs.gz [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 [-evolution] [T/F OPT]Default FALSE value for [-evol_recomb] [T/F OPT]Default FALSE value for [-profile] BOINC :: [2007-02-06 04:02:10] :: mode: pose1 :: nstartnum: 1 :: number_of_output: 10 :: num_decoys: 0 :: pct_complete: 0.01 ====================================================== DONE :: 1 starting structures built 10 (nstruct) times This process generated 0 decoys from 0 attempts ====================================================== thanx for help |
David E K Volunteer moderator Project administrator Project developer Project scientist Send message Joined: 1 Jul 05 Posts: 1480 Credit: 4,334,829 RAC: 0 |
You have to remove the rosetta_init_cnt.txt file. You also may need to add -termini in the arguments for some work units. We'll modify the app in the next release so you will no longer have to remove the init_cnt file if running in standalone mode. The file prevents the app from restarting over and over again without producing any results. |
caesar1987 Send message Joined: 28 Nov 06 Posts: 13 Credit: 22,268 RAC: 0 |
You have to remove the rosetta_init_cnt.txt file. You also may need to add -termini in the arguments for some work units. We'll modify the app in the next release so you will no longer have to remove the init_cnt file if running in standalone mode. The file prevents the app from restarting over and over again without producing any results. rosetta_init_cnt.txt is in the folder. ***rosetta_init_cnt.txt*** 54 0 and when will be the next release??? |
David E K Volunteer moderator Project administrator Project developer Project scientist Send message Joined: 1 Jul 05 Posts: 1480 Credit: 4,334,829 RAC: 0 |
you can either remove the file or edit it by changing 54 to 0. Then try extracting the models. What particular work unit are you trying to extract from? |
caesar1987 Send message Joined: 28 Nov 06 Posts: 13 Credit: 22,268 RAC: 0 |
you can either remove the file or edit it by changing 54 to 0. Oooo I channged 54 to 0. And it is all ok.. After each extract is the number higher by 1. So, somewhere in the program is a bug... And i try it with cca 10 out files and all is ok... thanx a lot... |
Message boards :
Number crunching :
Problem with view structure predictions
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