null Mon 24 Dec 07:45:12 GMT 2018 ############### You are running ARP/wARP 8.0 ############### Working directory /mnt/lustre/users/emra500/PipeliensFastaNoRFree/noncs/ArpWArp/wArpResults/WorkingDir Job ID is set to 2f4p-1.9-parrot-noncs X-ray data file /users/emra500/scratch/Dataset/noncsChltofom/2f4p-1.9-parrot-noncs.mtz Sequence file /users/emra500/scratch/Dataset/noncsChltofom/2f4p-1.9-parrot-noncs.fasta Tracing mode WARPNTRACEPHASES Creating directory /mnt/lustre/users/emra500/PipeliensFastaNoRFree/noncs/ArpWArp/wArpResults/WorkingDir/2f4p-1.9-parrot-noncs Accepted label: fp=FP Accepted label: sigfp=SIGFP Accepted label: phibest=hltofom.Phi_fom.phi Accepted label: fom=hltofom.Phi_fom.fom mtz labels taken: FP SIGFP hltofom.Phi_fom.phi hltofom.Phi_fom.fom Parameter file /mnt/lustre/users/emra500/PipeliensFastaNoRFree/noncs/ArpWArp/wArpResults/WorkingDir/2f4p-1.9-parrot-noncs/arp_warp_classic.par Job launched in /mnt/lustre/users/emra500/PipeliensFastaNoRFree/noncs/ArpWArp/wArpResults/WorkingDir/2f4p-1.9-parrot-noncs ############### You are running ARP/wARP 8.0 ############### ============================================================ Please cite at least one of the publications below for the ARP/wARP application you are using: Lamzin VS, Wilson KS. (1993) Automated refinement of protein models. Acta Crystallogr D Biol Crystallogr. 49, 129-147 Morris RJ, Perrakis A. Lamzin VS. (2003) ARP/wARP and automatic interpretation of protein electron density maps. In Methods Enzymol. (Carter, C.W. & Sweet, R.M. eds.) 374, 229-244 Langer GG, Hazledine S, Wiegels T, Carolan C, Lamzin VS. (2013) Visual automated macromolecular model building. Acta Crystallogr D Biol Crystallogr. 69, 635-641 Use of Refmac is an essential part of model building with ARP/wARP. Please acknowledge the use of Refmac by citing the following publication: Murshudov GN, Skubak P, Lebedev AA, Pannu NS, Steiner RA, Nicholls RA, Winn MD, Long F, Vagin AA. (2011) REFMAC5 for the refinement of macromolecular crystal structures. Acta Crystallogr D Biol Crystallogr. 67, 355-367 ============================================================ Mon 24 Dec 07:45:16 GMT 2018 You are running ARP/wARP version 8.0 Entering warp_tracing.sh from COMMAND_LINE_SUBMISSION The working directory: /mnt/lustre/users/emra500/PipeliensFastaNoRFree/noncs/ArpWArp/wArpResults/WorkingDir/2f4p-1.9-parrot-noncs ARP/wARP software version: 8.0 The parameter file: /mnt/lustre/users/emra500/PipeliensFastaNoRFree/noncs/ArpWArp/wArpResults/WorkingDir/2f4p-1.9-parrot-noncs/arp_warp_classic.par ARP/wARP will run in subdirectory: temp_tracing Checking the estimated solvent content Computed solvent content is outside allowed range. Target number of residues/nucleotides is changed to 529 and 0 Target number of residues in the AU: 529 Target solvent content: 0.4892 Checking the provided sequence file Detected sequence length: 147 Maximum limit of NCS related copies: 60 Number of NCS-related molecules: 4 Adjusted target number of residues: 588 Adjusted target solvent content: 0.43 Input MTZ file: 2f4p-1.9-parrot-noncs.mtz.cad Column labels for model refinement: FP SIGFP Column labels to obtain initial map: FP hltofom.Phi_fom.phi hltofom.Phi_fom.fom Space group number: 170 Cell parameters: 71.746 71.746 188.600 90.000 90.000 120.000 Input sequence file: 2f4p-1.9-parrot-noncs.fasta_lf Building free atoms model in initial map for 4704 target number of atoms Had to go as low as 0.45 sigma, to complete atoms search. ARP/wARP will be iterated with REFMAC5 50 refinement / model update cycles will be run in total. Atoms will be removed below 1.0 sigma in 2mFoDFc map and added above 3.2 sigma in mFoDFc map. Refmac Refinement Parameters 1 REFMAC cycle(s) with 1.0 1.0 fractional shifts damping in each cycle. Conditional restraints will be used Weight for restraints is set to AUTO Solvent mask correction will be used Anisotropic scaling with no bulk solvent correction Model Building Parameters Main chain tracing will take place every 5 refinement / model update cycles. Side chain docking will be performed from autobuilding cycle number 1 NCS extension will be performed at every building cycle. NCS restraints will be applied at each refinement cycle. Loops will be built when appropriate and at the last cycle Resolution range: 21.543 1.900 Wilson plot Bfac: 21.23 43044 reflections ( 99.90 % complete ) and 0 restraints for refining 5188 atoms. Observations/parameters ratio is 2.07 ------------------------------------------------------ Starting model: R = 0.3748 (Rfree = 0.000). ------------------------------------------------------ Cycle 0: After refmac, R = 0.3220 (Rfree = 0.000) for 5188 atoms. Found 163 (205 requested) and removed 116 (102 requested) atoms. ------------------------------------------------------ Building Cycle 1 Atomic shape factors 1.98 2.17 NCS extension: 0 residues added, 5235 seeds are put forward Round 1: 291 peptides, 43 chains. Longest chain 25 peptides. Score 0.520 Round 2: 336 peptides, 37 chains. Longest chain 35 peptides. Score 0.672 Round 3: 378 peptides, 31 chains. Longest chain 64 peptides. Score 0.779 Round 4: 401 peptides, 29 chains. Longest chain 65 peptides. Score 0.817 Round 5: 407 peptides, 29 chains. Longest chain 56 peptides. Score 0.824 Taking the results from Round 5 Chains 32, Residues 378, Estimated correctness of the model 97.5 % 7 chains (193 residues) have been docked in sequence Building loops using Loopy2018 32 chains (378 residues) following loop building 7 chains (193 residues) in sequence following loop building ------------------------------------------------------ 43044 reflections ( 99.90 % complete ) and 7461 restraints for refining 4601 atoms. 5185 conditional restraints added. Observations/parameters ratio is 2.34 ------------------------------------------------------ Cycle 1: After refmac, R = 0.3465 (Rfree = 0.000) for 4601 atoms. Found 150 (182 requested) and removed 98 (91 requested) atoms. Cycle 2: After refmac, R = 0.3171 (Rfree = 0.000) for 4615 atoms. Found 128 (180 requested) and removed 93 (92 requested) atoms. Cycle 3: After refmac, R = 0.2960 (Rfree = 0.000) for 4635 atoms. Found 117 (177 requested) and removed 65 (92 requested) atoms. Cycle 4: After refmac, R = 0.2792 (Rfree = 0.000) for 4674 atoms. Found 110 (174 requested) and removed 35 (92 requested) atoms. Cycle 5: After refmac, R = 0.2669 (Rfree = 0.000) for 4738 atoms. Found 88 (177 requested) and removed 21 (94 requested) atoms. ------------------------------------------------------ Building Cycle 2 Atomic shape factors 1.93 2.12 NCS extension: 9 residues added (49 deleted due to clashes), 4827 seeds are put forward Round 1: 423 peptides, 24 chains. Longest chain 92 peptides. Score 0.862 Round 2: 440 peptides, 18 chains. Longest chain 92 peptides. Score 0.898 Round 3: 444 peptides, 17 chains. Longest chain 92 peptides. Score 0.904 Round 4: 448 peptides, 15 chains. Longest chain 92 peptides. Score 0.913 Round 5: 445 peptides, 14 chains. Longest chain 99 peptides. Score 0.915 Taking the results from Round 5 Chains 17, Residues 431, Estimated correctness of the model 99.3 % 10 chains (382 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 42 A and 47 A Built loop between residues 41 C and 45 C Built loop between residues 55 C and 60 C Built loop between residues 75 C and 81 C Built loop between residues 99 B and 106 B 10 chains (451 residues) following loop building 5 chains (404 residues) in sequence following loop building ------------------------------------------------------ 43044 reflections ( 99.90 % complete ) and 5550 restraints for refining 4773 atoms. 2062 conditional restraints added. Observations/parameters ratio is 2.25 ------------------------------------------------------ Cycle 6: After refmac, R = 0.2826 (Rfree = 0.000) for 4773 atoms. Found 178 (178 requested) and removed 101 (94 requested) atoms. Cycle 7: After refmac, R = 0.2643 (Rfree = 0.000) for 4841 atoms. Found 104 (177 requested) and removed 62 (96 requested) atoms. Cycle 8: After refmac, R = 0.2511 (Rfree = 0.000) for 4867 atoms. Found 96 (174 requested) and removed 34 (96 requested) atoms. Cycle 9: After refmac, R = 0.2407 (Rfree = 0.000) for 4912 atoms. Found 86 (175 requested) and removed 28 (97 requested) atoms. Cycle 10: After refmac, R = 0.2315 (Rfree = 0.000) for 4964 atoms. Found 69 (177 requested) and removed 27 (98 requested) atoms. ------------------------------------------------------ Building Cycle 3 Atomic shape factors 1.91 2.10 NCS extension: 12 residues added (43 deleted due to clashes), 5020 seeds are put forward Round 1: 485 peptides, 13 chains. Longest chain 100 peptides. Score 0.936 Round 2: 492 peptides, 7 chains. Longest chain 130 peptides. Score 0.954 Round 3: 490 peptides, 10 chains. Longest chain 130 peptides. Score 0.946 Round 4: 492 peptides, 12 chains. Longest chain 88 peptides. Score 0.941 Round 5: 496 peptides, 11 chains. Longest chain 93 peptides. Score 0.945 Taking the results from Round 2 Chains 7, Residues 485, Estimated correctness of the model 99.8 % 7 chains (485 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 40 A and 46 A Built loop between residues 65 C and 68 C Built loop between residues 107 D and 115 D 4 chains (499 residues) following loop building 4 chains (499 residues) in sequence following loop building ------------------------------------------------------ 43044 reflections ( 99.90 % complete ) and 4900 restraints for refining 4936 atoms. 836 conditional restraints added. Observations/parameters ratio is 2.18 ------------------------------------------------------ Cycle 11: After refmac, R = 0.2466 (Rfree = 0.000) for 4936 atoms. Found 161 (175 requested) and removed 101 (97 requested) atoms. Cycle 12: After refmac, R = 0.2321 (Rfree = 0.000) for 4991 atoms. Found 109 (174 requested) and removed 65 (99 requested) atoms. Cycle 13: After refmac, R = 0.2202 (Rfree = 0.000) for 5028 atoms. Found 97 (171 requested) and removed 29 (99 requested) atoms. Cycle 14: After refmac, R = 0.2117 (Rfree = 0.000) for 5088 atoms. Found 84 (174 requested) and removed 41 (101 requested) atoms. Cycle 15: After refmac, R = 0.2058 (Rfree = 0.000) for 5120 atoms. Found 97 (175 requested) and removed 31 (101 requested) atoms. ------------------------------------------------------ Building Cycle 4 Atomic shape factors 1.92 2.11 NCS extension: 3 residues added (2 deleted due to clashes), 5189 seeds are put forward Round 1: 503 peptides, 9 chains. Longest chain 100 peptides. Score 0.952 Round 2: 505 peptides, 9 chains. Longest chain 125 peptides. Score 0.953 Round 3: 511 peptides, 6 chains. Longest chain 130 peptides. Score 0.961 Round 4: 507 peptides, 10 chains. Longest chain 122 peptides. Score 0.951 Round 5: 512 peptides, 5 chains. Longest chain 130 peptides. Score 0.964 Taking the results from Round 5 Chains 5, Residues 507, Estimated correctness of the model 99.9 % 5 chains (507 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 42 B and 46 B 4 chains (510 residues) following loop building 4 chains (510 residues) in sequence following loop building ------------------------------------------------------ 43044 reflections ( 99.90 % complete ) and 4758 restraints for refining 4959 atoms. 609 conditional restraints added. Observations/parameters ratio is 2.17 ------------------------------------------------------ Cycle 16: After refmac, R = 0.2247 (Rfree = 0.000) for 4959 atoms. Found 164 (169 requested) and removed 101 (98 requested) atoms. Cycle 17: After refmac, R = 0.2133 (Rfree = 0.000) for 5011 atoms. Found 110 (167 requested) and removed 34 (99 requested) atoms. Cycle 18: After refmac, R = 0.2057 (Rfree = 0.000) for 5078 atoms. Found 98 (169 requested) and removed 37 (100 requested) atoms. Cycle 19: After refmac, R = 0.2000 (Rfree = 0.000) for 5129 atoms. Found 86 (171 requested) and removed 34 (101 requested) atoms. Cycle 20: After refmac, R = 0.1965 (Rfree = 0.000) for 5173 atoms. Found 99 (172 requested) and removed 42 (102 requested) atoms. ------------------------------------------------------ Building Cycle 5 Atomic shape factors 1.92 2.11 NCS extension: 0 residues added, 5232 seeds are put forward Round 1: 509 peptides, 8 chains. Longest chain 100 peptides. Score 0.956 Round 2: 511 peptides, 9 chains. Longest chain 98 peptides. Score 0.954 Round 3: 511 peptides, 9 chains. Longest chain 129 peptides. Score 0.954 Round 4: 512 peptides, 9 chains. Longest chain 129 peptides. Score 0.955 Round 5: 509 peptides, 11 chains. Longest chain 102 peptides. Score 0.949 Taking the results from Round 1 Chains 9, Residues 501, Estimated correctness of the model 99.8 % 8 chains (500 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 42 A and 46 A Built loop between residues 41 C and 46 C Built loop between residues 67 B and 71 B Built loop between residues 45 D and 48 D 4 chains (512 residues) following loop building 4 chains (512 residues) in sequence following loop building ------------------------------------------------------ 43044 reflections ( 99.90 % complete ) and 4729 restraints for refining 5005 atoms. 560 conditional restraints added. Observations/parameters ratio is 2.15 ------------------------------------------------------ Cycle 21: After refmac, R = 0.2104 (Rfree = 0.000) for 5005 atoms. Found 158 (166 requested) and removed 103 (99 requested) atoms. Cycle 22: After refmac, R = 0.2032 (Rfree = 0.000) for 5047 atoms. Found 106 (164 requested) and removed 35 (100 requested) atoms. Cycle 23: After refmac, R = 0.1964 (Rfree = 0.000) for 5113 atoms. Found 88 (166 requested) and removed 34 (101 requested) atoms. Cycle 24: After refmac, R = 0.1920 (Rfree = 0.000) for 5160 atoms. Found 80 (167 requested) and removed 36 (102 requested) atoms. Cycle 25: After refmac, R = 0.1894 (Rfree = 0.000) for 5193 atoms. Found 74 (169 requested) and removed 38 (103 requested) atoms. ------------------------------------------------------ Building Cycle 6 Atomic shape factors 1.91 2.10 NCS extension: 0 residues added, 5230 seeds are put forward Round 1: 514 peptides, 6 chains. Longest chain 130 peptides. Score 0.962 Round 2: 509 peptides, 9 chains. Longest chain 100 peptides. Score 0.954 Round 3: 510 peptides, 8 chains. Longest chain 127 peptides. Score 0.956 Round 4: 510 peptides, 9 chains. Longest chain 100 peptides. Score 0.954 Round 5: 509 peptides, 9 chains. Longest chain 129 peptides. Score 0.954 Taking the results from Round 1 Chains 6, Residues 508, Estimated correctness of the model 99.8 % 6 chains (508 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 42 C and 46 C Built loop between residues 42 B and 46 B 4 chains (514 residues) following loop building 4 chains (514 residues) in sequence following loop building ------------------------------------------------------ 43044 reflections ( 99.90 % complete ) and 4712 restraints for refining 4986 atoms. 527 conditional restraints added. Observations/parameters ratio is 2.16 ------------------------------------------------------ Cycle 26: After refmac, R = 0.2077 (Rfree = 0.000) for 4986 atoms. Found 158 (158 requested) and removed 87 (98 requested) atoms. Cycle 27: After refmac, R = 0.2009 (Rfree = 0.000) for 5051 atoms. Found 97 (156 requested) and removed 29 (100 requested) atoms. Cycle 28: After refmac, R = 0.1950 (Rfree = 0.000) for 5114 atoms. Found 83 (158 requested) and removed 24 (101 requested) atoms. Cycle 29: After refmac, R = 0.1903 (Rfree = 0.000) for 5171 atoms. Found 73 (160 requested) and removed 35 (102 requested) atoms. Cycle 30: After refmac, R = 0.1873 (Rfree = 0.000) for 5203 atoms. Found 82 (161 requested) and removed 34 (103 requested) atoms. ------------------------------------------------------ Building Cycle 7 Atomic shape factors 1.91 2.10 NCS extension: 0 residues added, 5252 seeds are put forward Round 1: 511 peptides, 6 chains. Longest chain 128 peptides. Score 0.961 Round 2: 509 peptides, 9 chains. Longest chain 100 peptides. Score 0.954 Round 3: 511 peptides, 7 chains. Longest chain 127 peptides. Score 0.959 Round 4: 510 peptides, 9 chains. Longest chain 100 peptides. Score 0.954 Round 5: 510 peptides, 9 chains. Longest chain 98 peptides. Score 0.954 Taking the results from Round 1 Chains 9, Residues 505, Estimated correctness of the model 99.8 % 6 chains (502 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 41 A and 46 A Built loop between residues 41 B and 46 B 5 chains (511 residues) following loop building 4 chains (510 residues) in sequence following loop building ------------------------------------------------------ 43044 reflections ( 99.90 % complete ) and 4835 restraints for refining 5028 atoms. 679 conditional restraints added. Observations/parameters ratio is 2.14 ------------------------------------------------------ Cycle 31: After refmac, R = 0.2074 (Rfree = 0.000) for 5028 atoms. Found 155 (155 requested) and removed 89 (99 requested) atoms. Cycle 32: After refmac, R = 0.1994 (Rfree = 0.000) for 5081 atoms. Found 105 (153 requested) and removed 42 (100 requested) atoms. Cycle 33: After refmac, R = 0.1942 (Rfree = 0.000) for 5140 atoms. Found 77 (154 requested) and removed 39 (101 requested) atoms. Cycle 34: After refmac, R = 0.1890 (Rfree = 0.000) for 5173 atoms. Found 61 (152 requested) and removed 36 (102 requested) atoms. Cycle 35: After refmac, R = 0.1863 (Rfree = 0.000) for 5189 atoms. Found 71 (148 requested) and removed 32 (103 requested) atoms. ------------------------------------------------------ Building Cycle 8 Atomic shape factors 1.91 2.10 NCS extension: 8 residues added (19 deleted due to clashes), 5240 seeds are put forward Round 1: 513 peptides, 6 chains. Longest chain 128 peptides. Score 0.962 Round 2: 512 peptides, 8 chains. Longest chain 127 peptides. Score 0.957 Round 3: 509 peptides, 10 chains. Longest chain 100 peptides. Score 0.951 Round 4: 509 peptides, 10 chains. Longest chain 78 peptides. Score 0.951 Round 5: 513 peptides, 8 chains. Longest chain 102 peptides. Score 0.957 Taking the results from Round 1 Chains 7, Residues 507, Estimated correctness of the model 99.8 % 6 chains (505 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 42 C and 46 C Built loop between residues 42 B and 46 B 5 chains (513 residues) following loop building 4 chains (511 residues) in sequence following loop building ------------------------------------------------------ 43044 reflections ( 99.90 % complete ) and 4820 restraints for refining 4984 atoms. 652 conditional restraints added. Observations/parameters ratio is 2.16 ------------------------------------------------------ Cycle 36: After refmac, R = 0.2049 (Rfree = 0.000) for 4984 atoms. Found 142 (142 requested) and removed 73 (98 requested) atoms. Cycle 37: After refmac, R = 0.2012 (Rfree = 0.000) for 5043 atoms. Found 105 (140 requested) and removed 50 (100 requested) atoms. Cycle 38: After refmac, R = 0.1948 (Rfree = 0.000) for 5093 atoms. Found 101 (141 requested) and removed 32 (101 requested) atoms. Cycle 39: After refmac, R = 0.1909 (Rfree = 0.000) for 5152 atoms. Found 93 (143 requested) and removed 35 (102 requested) atoms. Cycle 40: After refmac, R = 0.1873 (Rfree = 0.000) for 5203 atoms. Found 85 (144 requested) and removed 39 (103 requested) atoms. ------------------------------------------------------ Building Cycle 9 Atomic shape factors 1.90 2.09 NCS extension: 0 residues added, 5249 seeds are put forward Round 1: 514 peptides, 6 chains. Longest chain 128 peptides. Score 0.962 Round 2: 512 peptides, 8 chains. Longest chain 127 peptides. Score 0.957 Round 3: 509 peptides, 9 chains. Longest chain 99 peptides. Score 0.954 Round 4: 510 peptides, 11 chains. Longest chain 127 peptides. Score 0.949 Round 5: 508 peptides, 12 chains. Longest chain 80 peptides. Score 0.946 Taking the results from Round 1 Chains 9, Residues 508, Estimated correctness of the model 99.8 % 6 chains (504 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 42 C and 46 C Built loop between residues 41 B and 46 B 6 chains (514 residues) following loop building 4 chains (511 residues) in sequence following loop building ------------------------------------------------------ 43044 reflections ( 99.90 % complete ) and 4831 restraints for refining 5015 atoms. 659 conditional restraints added. Observations/parameters ratio is 2.15 ------------------------------------------------------ Cycle 41: After refmac, R = 0.2068 (Rfree = 0.000) for 5015 atoms. Found 139 (139 requested) and removed 91 (99 requested) atoms. Cycle 42: After refmac, R = 0.1985 (Rfree = 0.000) for 5059 atoms. Found 115 (136 requested) and removed 32 (100 requested) atoms. Cycle 43: After refmac, R = 0.1920 (Rfree = 0.000) for 5138 atoms. Found 86 (138 requested) and removed 39 (101 requested) atoms. Cycle 44: After refmac, R = 0.1877 (Rfree = 0.000) for 5182 atoms. Found 87 (139 requested) and removed 34 (102 requested) atoms. Cycle 45: After refmac, R = 0.1861 (Rfree = 0.000) for 5229 atoms. Found 103 (141 requested) and removed 52 (103 requested) atoms. ------------------------------------------------------ Building Cycle 10 Atomic shape factors 1.91 2.10 NCS extension: 7 residues added (21 deleted due to clashes), 5295 seeds are put forward Round 1: 511 peptides, 7 chains. Longest chain 126 peptides. Score 0.959 Round 2: 511 peptides, 7 chains. Longest chain 126 peptides. Score 0.959 Round 3: 508 peptides, 12 chains. Longest chain 92 peptides. Score 0.946 Round 4: 511 peptides, 9 chains. Longest chain 128 peptides. Score 0.954 Round 5: 512 peptides, 8 chains. Longest chain 128 peptides. Score 0.957 Taking the results from Round 2 Last building cycle: Chain fragments will be rearranged Chains 8, Residues 504, Estimated correctness of the model 99.8 % 7 chains (502 residues) have been docked in sequence Sequence coverage is 99 % All DUM atoms will be removed Building loops using Loopy2018 Built loop between residues 42 A and 46 A Built loop between residues 42 C and 46 C Built loop between residues 63 D and 66 D 5 chains (512 residues) following loop building 4 chains (510 residues) in sequence following loop building ------------------------------------------------------ ---> Final restrained refinement block. Update only waters. 43044 reflections ( 99.90 % complete ) and 4163 restraints for refining 4044 atoms. Observations/parameters ratio is 2.66 ------------------------------------------------------ Cycle 46: After refmac, R = 0.2705 (Rfree = 0.000) for 4044 atoms. Found 106 (106 requested) and removed 0 (106 requested) atoms. Cycle 47: After refmac, R = 0.2491 (Rfree = 0.000) for 4044 atoms. Found 62 (108 requested) and removed 0 (82 requested) atoms. Cycle 48: After refmac, R = 0.2349 (Rfree = 0.000) for 4044 atoms. Found 35 (110 requested) and removed 2 (83 requested) atoms. Cycle 49: After refmac, R = 0.2265 (Rfree = 0.000) for 4044 atoms. Found 18 (111 requested) and removed 0 (84 requested) atoms. Writing output files ... Normal termination of warpNtrace Mon 24 Dec 08:49:52 GMT 2018 Job finished. TimeTaking 64.67 Used memory is bytes: 4546728