Borges started at: 2014-02-10 09:47.
=============================INPUT FILE /path/to/your/2wbs.bor=============================
[CONNECTION] use_remote_grid = False remote_frontend_passkey = False [MYSQL] borges_userdb_port = 3306 borges_userdb_hostname = localhost [BORGES-ARCIMBOLDO] number_cycles_model_refinement = 3 start_jobs_locally = False library_path = /path/to/your/zfing_lib topbrf = 1 sigf_label = SIGF resolution_for_clustering = 1.0 number_of_component_p1 = topbtf = 1 use_packing = True rotation_clustering_algorithm = rot_matrices percentage_cluster = 100 molecular_weight = 17000 shelxe_line_slow = -m30 -v0 -y1.0 -a5 -t20 -e1.0 -s0.50 -o -u1998 f_p1_label = threshold_algorithm = 15 clusters = 23 f_label = F toppack = -1 sampling_for_clustering = -1 topftf = 70 topfrf = 200 topexp = 30 sigf_p1_label = number_of_component = 1 identity = 0.2 exclude_zscore = 0 exclude_llg = 0 tncs = True toprnp = 200 shelxe_line_fast = -m30 -v0 -y1.9 -a50 -t20 -e1.0 -q -s0.45 name_job = 2wbs_nbf spacegroup = [GENERAL] working_directory = /path/to/your/working/directory mtz_path = %(working_directory)s/2wbs.mtz mtz_p1_path = hkl_path = %(working_directory)s/2wbs.hkl
============================================Summary of your data=====================================================
SPACEGROUP: P 21 21 21
CELL DIMENSIONS: 41.00, 45.97, 73.91, 90.00, 90.00, 90.00
RESOLUTION: 1.70
NUMBER OF UNIQUE REFLECTIONS: 15759.00
| #Cluster | #Rotations | #Distinct Pdb | Top LLG | LLG Mean | Top Zscore | Zscore Mean |
|---|---|---|---|---|---|---|
| 0 | 33 | 14 | 35.68 | 21.04 | 4.86 | 3.52 |
| 1 | 33 | 15 | 31.49 | 21.18 | 4.32 | 3.57 |
| 2 | 16 | 11 | 26.22 | 19.47 | 3.95 | 3.37 |
| 3 | 25 | 14 | 32.54 | 22.80 | 4.49 | 3.77 |
| 5 | 36 | 15 | 36.69 | 21.25 | 4.97 | 3.56 |
| 6 | 11 | 8 | 27.00 | 19.88 | 4.21 | 3.44 |
| 7 | 15 | 10 | 27.49 | 20.22 | 4.20 | 3.48 |
| 8 | 8 | 5 | 32.64 | 20.33 | 4.41 | 3.42 |
| 9 | 8 | 7 | 27.19 | 20.63 | 3.87 | 3.42 |
| 12 | 19 | 10 | 31.34 | 20.59 | 4.49 | 3.48 |
| 13 | 29 | 12 | 28.67 | 21.02 | 4.33 | 3.54 |
| 15 | 10 | 9 | 26.93 | 20.34 | 4.05 | 3.52 |
| 20 | 17 | 9 | 26.82 | 20.03 | 3.94 | 3.46 |
| 21 | 11 | 7 | 33.38 | 21.77 | 4.61 | 3.60 |
| #Cluster | Rotation and Model Refinement | Translation Function | Packing | Rigid Body Refinement | Initial CC | Best Trace CC/aa | ||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| #Rots. | Top LLG | Mean LLG | Top Zscore | Mean Zscore | #Trans. | Top LLG | Mean LLG | Top Zscore | Mean Zscore | #Sol. | Top LLG | Mean LLG | Top Zscore | Mean Zscore | #Sol. | Top LLG | Mean LLG | Before Refinement CC | After Refinement CC | MODE | Cycle | CC | #Res. traced | |
| 23 | 5 | 23.23 | 19.90 | 3.98 | 3.56 | 5 | 57.64 | 42.11 | 8.62 | 6.87 | 5 | 57.64 | 42.11 | 8.62 | 6.87 | 5 | 63.60 | 51.26 | 9.65 | 10.24 | FAST | 5 | 25.24 | 77 |
The current best solution is: 1f2i_0_2.pdb with FINALCC: 25.24 and n. residues traced 77
file is: /path/to/your/workingdirectory/24_EXP/23/5/0/1f2i_0_2_rnp.pdb