null Mon 24 Dec 00:47:58 GMT 2018 ############### You are running ARP/wARP 8.0 ############### Working directory /mnt/lustre/users/emra500/PipeliensFastaNoRFree/mrncs/ArpWArp/wArpResults/WorkingDir Job ID is set to 1vkm-3.2-parrot-mrncs X-ray data file /users/emra500/scratch/Dataset/mrncsChltofom/1vkm-3.2-parrot-mrncs.mtz Sequence file /users/emra500/scratch/Dataset/mrncsChltofom/1vkm-3.2-parrot-mrncs.fasta Tracing mode WARPNTRACEPHASES Creating directory /mnt/lustre/users/emra500/PipeliensFastaNoRFree/mrncs/ArpWArp/wArpResults/WorkingDir/1vkm-3.2-parrot-mrncs 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/mrncs/ArpWArp/wArpResults/WorkingDir/1vkm-3.2-parrot-mrncs/arp_warp_classic.par Job launched in /mnt/lustre/users/emra500/PipeliensFastaNoRFree/mrncs/ArpWArp/wArpResults/WorkingDir/1vkm-3.2-parrot-mrncs ############### 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 00:48:02 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/mrncs/ArpWArp/wArpResults/WorkingDir/1vkm-3.2-parrot-mrncs ARP/wARP software version: 8.0 The parameter file: /mnt/lustre/users/emra500/PipeliensFastaNoRFree/mrncs/ArpWArp/wArpResults/WorkingDir/1vkm-3.2-parrot-mrncs/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 1272 and 0 Target number of residues in the AU: 1272 Target solvent content: 0.5907 Checking the provided sequence file Detected sequence length: 297 Maximum limit of NCS related copies: 60 Number of NCS-related molecules: 6 Adjusted target number of residues: 1782 Adjusted target solvent content: 0.43 Input MTZ file: 1vkm-3.2-parrot-mrncs.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: 19 Cell parameters: 91.732 131.100 139.844 90.000 90.000 90.000 Input sequence file: 1vkm-3.2-parrot-mrncs.fasta_lf Building free atoms model in initial map for 14256 target number of atoms Had to go as low as 0.55 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 3 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: 75.160 3.200 Wilson plot Bfac: 48.83 28485 reflections ( 99.98 % complete ) and 0 restraints for refining 15789 atoms. Observations/parameters ratio is 0.45 ------------------------------------------------------ Starting model: R = 0.2931 (Rfree = 0.000). ------------------------------------------------------ Cycle 0: After refmac, R = 0.2484 (Rfree = 0.000) for 15789 atoms. Found 76 (141 requested) and removed 179 (70 requested) atoms. ------------------------------------------------------ Building Cycle 1 Atomic shape factors 2.96 3.25 Search for helices and strands: 0 residues in 0 chains, 16047 seeds are put forward NCS extension: 0 residues added, 16047 seeds are put forward Round 1: 908 peptides, 159 chains. Longest chain 20 peptides. Score 0.440 Round 2: 1134 peptides, 145 chains. Longest chain 40 peptides. Score 0.655 Round 3: 1191 peptides, 138 chains. Longest chain 36 peptides. Score 0.705 Round 4: 1228 peptides, 141 chains. Longest chain 44 peptides. Score 0.717 Round 5: 1248 peptides, 136 chains. Longest chain 31 peptides. Score 0.738 Taking the results from Round 5 Chains 142, Residues 1112, Estimated correctness of the model 72.8 % 19 chains (231 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 110 A and 118 A 142 chains (1118 residues) following loop building 18 chains (238 residues) in sequence following loop building ------------------------------------------------------ 28485 reflections ( 99.98 % complete ) and 25831 restraints for refining 13011 atoms. 20778 conditional restraints added. Observations/parameters ratio is 0.55 ------------------------------------------------------ Cycle 1: After refmac, R = 0.2459 (Rfree = 0.000) for 13011 atoms. Found 79 (116 requested) and removed 133 (58 requested) atoms. Cycle 2: After refmac, R = 0.2305 (Rfree = 0.000) for 12823 atoms. Found 34 (114 requested) and removed 85 (58 requested) atoms. Cycle 3: After refmac, R = 0.2252 (Rfree = 0.000) for 12716 atoms. Found 32 (109 requested) and removed 69 (57 requested) atoms. Cycle 4: After refmac, R = 0.2185 (Rfree = 0.000) for 12654 atoms. Found 25 (106 requested) and removed 65 (56 requested) atoms. Cycle 5: After refmac, R = 0.2138 (Rfree = 0.000) for 12584 atoms. Found 19 (104 requested) and removed 57 (56 requested) atoms. ------------------------------------------------------ Building Cycle 2 Atomic shape factors 2.97 3.26 Search for helices and strands: 0 residues in 0 chains, 12971 seeds are put forward NCS extension: 10 residues added (15 deleted due to clashes), 12981 seeds are put forward Round 1: 1135 peptides, 144 chains. Longest chain 30 peptides. Score 0.658 Round 2: 1237 peptides, 127 chains. Longest chain 25 peptides. Score 0.753 Round 3: 1254 peptides, 129 chains. Longest chain 30 peptides. Score 0.756 Round 4: 1247 peptides, 126 chains. Longest chain 46 peptides. Score 0.759 Round 5: 1252 peptides, 121 chains. Longest chain 51 peptides. Score 0.772 Taking the results from Round 5 Chains 140, Residues 1131, Estimated correctness of the model 78.9 % 19 chains (309 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 133 B and 143 B Built loop between residues 161 B and 165 B 137 chains (1137 residues) following loop building 17 chains (321 residues) in sequence following loop building ------------------------------------------------------ 28485 reflections ( 99.98 % complete ) and 25351 restraints for refining 13013 atoms. 19845 conditional restraints added. Observations/parameters ratio is 0.55 ------------------------------------------------------ Cycle 6: After refmac, R = 0.2518 (Rfree = 0.000) for 13013 atoms. Found 81 (104 requested) and removed 127 (58 requested) atoms. Cycle 7: After refmac, R = 0.2380 (Rfree = 0.000) for 12912 atoms. Found 35 (102 requested) and removed 76 (58 requested) atoms. Cycle 8: After refmac, R = 0.2319 (Rfree = 0.000) for 12845 atoms. Found 36 (99 requested) and removed 70 (57 requested) atoms. Cycle 9: After refmac, R = 0.2240 (Rfree = 0.000) for 12790 atoms. Found 31 (96 requested) and removed 62 (57 requested) atoms. Cycle 10: After refmac, R = 0.2205 (Rfree = 0.000) for 12747 atoms. Found 30 (93 requested) and removed 60 (57 requested) atoms. ------------------------------------------------------ Building Cycle 3 Atomic shape factors 2.95 3.24 Search for helices and strands: 0 residues in 0 chains, 13122 seeds are put forward NCS extension: 43 residues added (45 deleted due to clashes), 13165 seeds are put forward Round 1: 1086 peptides, 135 chains. Longest chain 46 peptides. Score 0.653 Round 2: 1199 peptides, 117 chains. Longest chain 31 peptides. Score 0.757 Round 3: 1178 peptides, 123 chains. Longest chain 30 peptides. Score 0.734 Round 4: 1222 peptides, 126 chains. Longest chain 30 peptides. Score 0.748 Round 5: 1183 peptides, 121 chains. Longest chain 34 peptides. Score 0.741 Taking the results from Round 2 Chains 126, Residues 1082, Estimated correctness of the model 76.3 % 15 chains (239 residues) have been docked in sequence Building loops using Loopy2018 126 chains (1082 residues) following loop building 15 chains (239 residues) in sequence following loop building ------------------------------------------------------ 28485 reflections ( 99.98 % complete ) and 26365 restraints for refining 13015 atoms. 21343 conditional restraints added. Observations/parameters ratio is 0.55 ------------------------------------------------------ Cycle 11: After refmac, R = 0.2332 (Rfree = 0.000) for 13015 atoms. Found 57 (93 requested) and removed 112 (58 requested) atoms. Cycle 12: After refmac, R = 0.2254 (Rfree = 0.000) for 12938 atoms. Found 36 (90 requested) and removed 69 (58 requested) atoms. Cycle 13: After refmac, R = 0.2205 (Rfree = 0.000) for 12892 atoms. Found 19 (87 requested) and removed 62 (57 requested) atoms. Cycle 14: After refmac, R = 0.2151 (Rfree = 0.000) for 12838 atoms. Found 13 (85 requested) and removed 58 (57 requested) atoms. Cycle 15: After refmac, R = 0.2121 (Rfree = 0.000) for 12785 atoms. Found 15 (82 requested) and removed 58 (57 requested) atoms. ------------------------------------------------------ Building Cycle 4 Atomic shape factors 2.99 3.28 Search for helices and strands: 0 residues in 0 chains, 13123 seeds are put forward NCS extension: 24 residues added (9 deleted due to clashes), 13147 seeds are put forward Round 1: 1048 peptides, 135 chains. Longest chain 24 peptides. Score 0.628 Round 2: 1179 peptides, 125 chains. Longest chain 37 peptides. Score 0.730 Round 3: 1162 peptides, 136 chains. Longest chain 28 peptides. Score 0.694 Round 4: 1165 peptides, 126 chains. Longest chain 29 peptides. Score 0.720 Round 5: 1132 peptides, 124 chains. Longest chain 37 peptides. Score 0.708 Taking the results from Round 2 Chains 133, Residues 1054, Estimated correctness of the model 71.3 % 13 chains (217 residues) have been docked in sequence Building loops using Loopy2018 133 chains (1054 residues) following loop building 13 chains (217 residues) in sequence following loop building ------------------------------------------------------ 28485 reflections ( 99.98 % complete ) and 26797 restraints for refining 13015 atoms. 21973 conditional restraints added. Observations/parameters ratio is 0.55 ------------------------------------------------------ Cycle 16: After refmac, R = 0.2239 (Rfree = 0.000) for 13015 atoms. Found 58 (81 requested) and removed 105 (58 requested) atoms. Cycle 17: After refmac, R = 0.2151 (Rfree = 0.000) for 12942 atoms. Found 33 (79 requested) and removed 65 (58 requested) atoms. Cycle 18: After refmac, R = 0.2102 (Rfree = 0.000) for 12896 atoms. Found 25 (76 requested) and removed 59 (57 requested) atoms. Cycle 19: After refmac, R = 0.2048 (Rfree = 0.000) for 12849 atoms. Found 27 (74 requested) and removed 58 (57 requested) atoms. Cycle 20: After refmac, R = 0.2023 (Rfree = 0.000) for 12808 atoms. Found 21 (71 requested) and removed 58 (57 requested) atoms. ------------------------------------------------------ Building Cycle 5 Atomic shape factors 2.98 3.27 Search for helices and strands: 0 residues in 0 chains, 13103 seeds are put forward NCS extension: 15 residues added (14 deleted due to clashes), 13118 seeds are put forward Round 1: 1025 peptides, 134 chains. Longest chain 20 peptides. Score 0.616 Round 2: 1143 peptides, 125 chains. Longest chain 32 peptides. Score 0.711 Round 3: 1131 peptides, 128 chains. Longest chain 42 peptides. Score 0.697 Round 4: 1128 peptides, 131 chains. Longest chain 28 peptides. Score 0.688 Round 5: 1113 peptides, 125 chains. Longest chain 27 peptides. Score 0.695 Taking the results from Round 2 Chains 135, Residues 1018, Estimated correctness of the model 67.5 % 19 chains (310 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 130 B and 136 B 133 chains (1021 residues) following loop building 18 chains (315 residues) in sequence following loop building ------------------------------------------------------ 28485 reflections ( 99.98 % complete ) and 25727 restraints for refining 13015 atoms. 20656 conditional restraints added. Observations/parameters ratio is 0.55 ------------------------------------------------------ Cycle 21: After refmac, R = 0.2229 (Rfree = 0.000) for 13015 atoms. Found 63 (70 requested) and removed 119 (58 requested) atoms. Cycle 22: After refmac, R = 0.2137 (Rfree = 0.000) for 12934 atoms. Found 29 (67 requested) and removed 61 (58 requested) atoms. Cycle 23: After refmac, R = 0.2119 (Rfree = 0.000) for 12882 atoms. Found 33 (64 requested) and removed 58 (57 requested) atoms. Cycle 24: After refmac, R = 0.2065 (Rfree = 0.000) for 12843 atoms. Found 22 (62 requested) and removed 60 (57 requested) atoms. Cycle 25: After refmac, R = 0.2017 (Rfree = 0.000) for 12797 atoms. Found 19 (59 requested) and removed 57 (57 requested) atoms. ------------------------------------------------------ Building Cycle 6 Atomic shape factors 2.99 3.28 Search for helices and strands: 0 residues in 0 chains, 13111 seeds are put forward NCS extension: 39 residues added (25 deleted due to clashes), 13150 seeds are put forward Round 1: 1010 peptides, 138 chains. Longest chain 19 peptides. Score 0.593 Round 2: 1116 peptides, 125 chains. Longest chain 31 peptides. Score 0.697 Round 3: 1140 peptides, 131 chains. Longest chain 28 peptides. Score 0.695 Round 4: 1111 peptides, 126 chains. Longest chain 34 peptides. Score 0.691 Round 5: 1095 peptides, 125 chains. Longest chain 34 peptides. Score 0.685 Taking the results from Round 2 Chains 140, Residues 991, Estimated correctness of the model 64.5 % 15 chains (215 residues) have been docked in sequence ------------------------------------------------------ 28485 reflections ( 99.98 % complete ) and 26967 restraints for refining 13015 atoms. 22396 conditional restraints added. Observations/parameters ratio is 0.55 ------------------------------------------------------ Cycle 26: After refmac, R = 0.2201 (Rfree = 0.000) for 13015 atoms. Found 58 (58 requested) and removed 95 (58 requested) atoms. Cycle 27: After refmac, R = 0.2129 (Rfree = 0.000) for 12956 atoms. Found 40 (58 requested) and removed 60 (58 requested) atoms. Cycle 28: After refmac, R = 0.2083 (Rfree = 0.000) for 12922 atoms. Found 39 (58 requested) and removed 59 (58 requested) atoms. Cycle 29: After refmac, R = 0.2027 (Rfree = 0.000) for 12892 atoms. Found 29 (57 requested) and removed 59 (57 requested) atoms. Cycle 30: After refmac, R = 0.2007 (Rfree = 0.000) for 12856 atoms. Found 19 (57 requested) and removed 58 (57 requested) atoms. ------------------------------------------------------ Building Cycle 7 Atomic shape factors 2.97 3.26 Search for helices and strands: 0 residues in 0 chains, 13170 seeds are put forward NCS extension: 13 residues added (10 deleted due to clashes), 13183 seeds are put forward Round 1: 967 peptides, 140 chains. Longest chain 21 peptides. Score 0.556 Round 2: 1042 peptides, 122 chains. Longest chain 32 peptides. Score 0.662 Round 3: 1052 peptides, 128 chains. Longest chain 24 peptides. Score 0.651 Round 4: 1065 peptides, 128 chains. Longest chain 31 peptides. Score 0.659 Round 5: 1046 peptides, 128 chains. Longest chain 24 peptides. Score 0.647 Taking the results from Round 2 Chains 124, Residues 920, Estimated correctness of the model 56.7 % 8 chains (122 residues) have been docked in sequence ------------------------------------------------------ 28485 reflections ( 99.98 % complete ) and 28330 restraints for refining 13015 atoms. 24384 conditional restraints added. Observations/parameters ratio is 0.55 ------------------------------------------------------ Cycle 31: After refmac, R = 0.2150 (Rfree = 0.000) for 13015 atoms. Found 58 (58 requested) and removed 75 (58 requested) atoms. Cycle 32: After refmac, R = 0.2090 (Rfree = 0.000) for 12978 atoms. Found 42 (58 requested) and removed 59 (58 requested) atoms. Cycle 33: After refmac, R = 0.2052 (Rfree = 0.000) for 12951 atoms. Found 29 (58 requested) and removed 58 (58 requested) atoms. Cycle 34: After refmac, R = 0.2003 (Rfree = 0.000) for 12918 atoms. Found 30 (57 requested) and removed 59 (57 requested) atoms. Cycle 35: After refmac, R = 0.1960 (Rfree = 0.000) for 12884 atoms. Found 27 (57 requested) and removed 57 (57 requested) atoms. ------------------------------------------------------ Building Cycle 8 Atomic shape factors 2.94 3.23 Search for helices and strands: 0 residues in 0 chains, 13198 seeds are put forward NCS extension: 23 residues added (11 deleted due to clashes), 13221 seeds are put forward Round 1: 911 peptides, 132 chains. Longest chain 27 peptides. Score 0.539 Round 2: 999 peptides, 119 chains. Longest chain 27 peptides. Score 0.643 Round 3: 993 peptides, 126 chains. Longest chain 27 peptides. Score 0.619 Round 4: 982 peptides, 125 chains. Longest chain 29 peptides. Score 0.614 Round 5: 1008 peptides, 126 chains. Longest chain 27 peptides. Score 0.629 Taking the results from Round 2 Chains 124, Residues 880, Estimated correctness of the model 52.1 % 14 chains (166 residues) have been docked in sequence ------------------------------------------------------ 28485 reflections ( 99.98 % complete ) and 28066 restraints for refining 13012 atoms. 24164 conditional restraints added. Observations/parameters ratio is 0.55 ------------------------------------------------------ Cycle 36: After refmac, R = 0.2091 (Rfree = 0.000) for 13012 atoms. Found 42 (58 requested) and removed 80 (58 requested) atoms. Cycle 37: After refmac, R = 0.2041 (Rfree = 0.000) for 12959 atoms. Found 34 (58 requested) and removed 60 (58 requested) atoms. Cycle 38: After refmac, R = 0.1975 (Rfree = 0.000) for 12923 atoms. Found 22 (58 requested) and removed 59 (58 requested) atoms. Cycle 39: After refmac, R = 0.1910 (Rfree = 0.000) for 12876 atoms. Found 28 (57 requested) and removed 57 (57 requested) atoms. Cycle 40: After refmac, R = 0.1909 (Rfree = 0.000) for 12843 atoms. Found 19 (57 requested) and removed 57 (57 requested) atoms. ------------------------------------------------------ Building Cycle 9 Atomic shape factors 2.98 3.27 Search for helices and strands: 0 residues in 0 chains, 13178 seeds are put forward NCS extension: 17 residues added (6 deleted due to clashes), 13195 seeds are put forward Round 1: 865 peptides, 137 chains. Longest chain 23 peptides. Score 0.484 Round 2: 944 peptides, 130 chains. Longest chain 23 peptides. Score 0.571 Round 3: 967 peptides, 125 chains. Longest chain 24 peptides. Score 0.604 Round 4: 965 peptides, 125 chains. Longest chain 24 peptides. Score 0.602 Round 5: 966 peptides, 119 chains. Longest chain 43 peptides. Score 0.622 Taking the results from Round 5 Chains 125, Residues 847, Estimated correctness of the model 46.9 % 5 chains (62 residues) have been docked in sequence ------------------------------------------------------ 28485 reflections ( 99.98 % complete ) and 29033 restraints for refining 13015 atoms. 25583 conditional restraints added. Observations/parameters ratio is 0.55 ------------------------------------------------------ Cycle 41: After refmac, R = 0.2048 (Rfree = 0.000) for 13015 atoms. Found 58 (58 requested) and removed 67 (58 requested) atoms. Cycle 42: After refmac, R = 0.2001 (Rfree = 0.000) for 12991 atoms. Found 27 (58 requested) and removed 59 (58 requested) atoms. Cycle 43: After refmac, R = 0.1953 (Rfree = 0.000) for 12947 atoms. Found 21 (58 requested) and removed 59 (58 requested) atoms. Cycle 44: After refmac, R = 0.1928 (Rfree = 0.000) for 12907 atoms. Found 38 (57 requested) and removed 58 (57 requested) atoms. Cycle 45: After refmac, R = 0.1887 (Rfree = 0.000) for 12881 atoms. Found 24 (57 requested) and removed 58 (57 requested) atoms. ------------------------------------------------------ Building Cycle 10 Atomic shape factors 2.96 3.25 Search for helices and strands: 0 residues in 0 chains, 13214 seeds are put forward NCS extension: 29 residues added (13 deleted due to clashes), 13243 seeds are put forward Round 1: 820 peptides, 123 chains. Longest chain 24 peptides. Score 0.498 Round 2: 878 peptides, 116 chains. Longest chain 29 peptides. Score 0.569 Round 3: 898 peptides, 118 chains. Longest chain 33 peptides. Score 0.577 Round 4: 902 peptides, 118 chains. Longest chain 25 peptides. Score 0.580 Round 5: 886 peptides, 110 chains. Longest chain 43 peptides. Score 0.594 Taking the results from Round 5 Last building cycle: Chain fragments will be rearranged Chains 113, Residues 776, Estimated correctness of the model 39.4 % 7 chains (103 residues) have been docked in sequence Sequence coverage is 13 % Consider running further cycles of model building using 1vkm-3_warpNtrace.pdb as input Building loops using Loopy2018 Built loop between residues 91 B and 100 B Built loop between residues 131 B and 143 B 112 chains (792 residues) following loop building 4 chains (122 residues) in sequence following loop building ------------------------------------------------------ ---> Final restrained refinement block. No atom update. 28485 reflections ( 99.98 % complete ) and 28433 restraints for refining 13014 atoms. 25047 conditional restraints added. Observations/parameters ratio is 0.55 ------------------------------------------------------ Cycle 46: After refmac, R = 0.2126 (Rfree = 0.000) for 13014 atoms. Found 0 (58 requested) and removed 40 (58 requested) atoms. Cycle 47: After refmac, R = 0.2076 (Rfree = 0.000) for 12949 atoms. Found 0 (58 requested) and removed 17 (58 requested) atoms. Cycle 48: After refmac, R = 0.2031 (Rfree = 0.000) for 12924 atoms. Found 0 (58 requested) and removed 22 (58 requested) atoms. Cycle 49: After refmac, R = 0.1992 (Rfree = 0.000) for 12896 atoms. Found 0 (57 requested) and removed 16 (57 requested) atoms. Writing output files ... Normal termination of warpNtrace Mon 24 Dec 03:07:48 GMT 2018 Job finished. TimeTaking 139.83 Used memory is bytes: 27613568