Erraser analyze script, running with args: { "daemon_id": "GrayLab.Jazz", "data": "/home/rosie/rosie/rosie.back/data", "debug": false, "erraser_root": "/home/rosie/rosie/rosie.back/data/erraser", "here": "/home/rosie/rosie/rosie.back", "hpc_driver": "Condor", "log_dir": "/home/rosie/rosie/rosie.back/Jobs/18362/output/logs", "remote": "false", "rosetta": "/home/rosie/rosie/rosie.back/data/erraser/rosetta", "working_dir": "/home/rosie/rosie/rosie.back/Jobs/18362" } input options: { "fixed_residues": "", "map_resolution": 1.795, "protocol_variant": "erraser_standard", "rebuild_residue": "" } Running ERRASER script... /home/rosie/rosie/rosie.back/data/erraser/ErraserStandard-Run.sh -pdb ./../input/model.pdb -map ./../input/density_map.ccp4 -map_reso 1.795 -fixed_res pdb = ./../input/model.pdb map = ./../input/density_map.ccp4 out_pdb = map_reso = 1.795 rna_prot_erraser = False debug = False rosetta_folder = rosetta_bin = rosetta_database = n_iterate = 1 rebuild_rmsd = True rebuild_all = False fixed_res = [] rebuild_extra_res = [] use_native_edensity_cutoff = False constrain_chi = True native_screen_RMSD = 3.0 search_syn_pyrimidine_only_when_native_syn = True num_pose_kept = 100 num_pose_kept_cluster = 10 o2prime_legacy_mode = True scoring_file = use_2prime_OH_potential = False fcc2012_new_torsional_potential = True fcc2012_scoring_file = True ################################### Starting erraser... Create temporary directory /home/rosie/rosie/rosie.back/Jobs/18362/output/model_erraser_temp/... ######Start submitting the Rosetta command for rna_rosetta_ready_set######## core.init: Rosetta version from core.init: command: /home/rosie/rosie/rosie.back/data/erraser/rosetta/main/source/bin/erraser_minimizer.linuxgccrelease -database /home/rosie/rosie/rosie.back/data/erraser/rosetta/main/database/ -native start.pdb -out_pdb minimize_0.pdb -ready_set_only true core.init: 'RNG device' seed mode, using '/dev/urandom', seed=868755130 seed_offset=0 real_seed=868755130 core.init.random: RandomGenerator:init: Normal mode, seed=868755130 RG_type=mt19937 core.chemical.ResidueTypeSet: Finished initializing fa_standard residue type set. Created 378 residue types core.chemical.ResidueTypeSet: Total time to initialize 0.67 seconds. core.io.pdb.file_data: [ WARNING ] discarding 1 atoms at position 1 in file start.pdb. Best match rsd_type: RGU:LowerRNA core.io.pdb.file_data_fixup: Flipping atom xyz for OP1 and OP2 for residue G core.io.pdb.file_data_fixup: Flipping atom xyz for H41 and H42 for residue C core.io.pdb.file_data_fixup: Number of flip-atom fixups exceeds output limit. Rerun with -show_all_fixes to show everything. core.io.pdb.file_data: [ WARNING ] can't find atom for res 1 atom OP3 (trying to set temp) Extract pdb: Empty silent file or illegal format! Skip the extraction. Extract pdb: Empty silent file or illegal format! Skip the extraction. ######Rosetta section completed############################################# fixed_res_final in Rosetta pdb file = [] cutpoint_final in Rosetta pdb file = [] extra_res_final in Rosetta pdb file = [] Starting whole-structure minimization 1... Minimization 1 completed sucessfully. Rebuilding 1 completed sucessfully. Minimization 2 completed sucessfully. DONE!...Total time taken= 5207.095935 seconds ################################### Running ERRASER Analyze script... /home/rosie/rosie/rosie.back/data/erraser/ErraserStandard-Analyze.sh ./../input/model.pdb ./model_erraser.pdb Geometric Changes Introduced by ERRASER ====Overall Statistics================================== Start ERRASER Clashscore 9.66 8.78 Suite Outlier 5 5 Pucker Outlier 2 2 Bond Outlier 0 0 Angle Outlier 5 0 ====Suite Changes======================================= None ====Remaining Outlier Suites============================ '!!' stands for an outlier suite. Residue Start ERRASER G A 16 !! !! U A 22 !! !! C A 54 !! !! U A 63 !! !! A A 64 !! !! ====Pucker Outliers===================================== Format: (delta torsion)/(!! or OK). Residue Start ERRASER G A 15 77.1/!! 79.0/!! U A 63 124.1/!! 146.1/!! ====Bond Length Outliers================================= None ====Bond Angle Outliers=================================== The values are the number of standard deviation away from ideal value. Residue Angle Start ERRASER C A 39 C5'-C4'-C3' -5.55/!! OK C A 39 OP1-P-O5' -5.06/!! OK C A 39 OP2-P-O5' 4.60/!! OK U A 63 C4'-C3'-O3' -4.88/!! OK U A 63 C3'-O3'-P -4.11/!! OK ====Glycosidic Torsion Changes========================== None ========================================================