null Mon 24 Dec 00:40:00 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 2hx1-3.2-parrot-mrncs X-ray data file /users/emra500/scratch/Dataset/mrncsChltofom/2hx1-3.2-parrot-mrncs.mtz Sequence file /users/emra500/scratch/Dataset/mrncsChltofom/2hx1-3.2-parrot-mrncs.fasta Tracing mode WARPNTRACEPHASES Creating directory /mnt/lustre/users/emra500/PipeliensFastaNoRFree/mrncs/ArpWArp/wArpResults/WorkingDir/2hx1-3.2-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/2hx1-3.2-parrot-mrncs/arp_warp_classic.par Job launched in /mnt/lustre/users/emra500/PipeliensFastaNoRFree/mrncs/ArpWArp/wArpResults/WorkingDir/2hx1-3.2-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 00:40:05 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/2hx1-3.2-parrot-mrncs ARP/wARP software version: 8.0 The parameter file: /mnt/lustre/users/emra500/PipeliensFastaNoRFree/mrncs/ArpWArp/wArpResults/WorkingDir/2hx1-3.2-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 896 and 0 Target number of residues in the AU: 896 Target solvent content: 0.5911 Checking the provided sequence file Detected sequence length: 284 Maximum limit of NCS related copies: 60 Number of NCS-related molecules: 4 Adjusted target number of residues: 1136 Adjusted target solvent content: 0.48 Input MTZ file: 2hx1-3.2-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: 65.624 119.462 151.274 90.000 90.000 90.000 Input sequence file: 2hx1-3.2-parrot-mrncs.fasta_lf Building free atoms model in initial map for 9088 target number of atoms Had to go as low as 0.70 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: 93.753 3.200 Wilson plot Bfac: 48.97 20273 reflections ( 99.79 % complete ) and 0 restraints for refining 10134 atoms. Observations/parameters ratio is 0.50 ------------------------------------------------------ Starting model: R = 0.3201 (Rfree = 0.000). ------------------------------------------------------ Cycle 0: After refmac, R = 0.3043 (Rfree = 0.000) for 10134 atoms. Found 90 (90 requested) and removed 100 (45 requested) atoms. ------------------------------------------------------ Building Cycle 1 Atomic shape factors 2.95 3.03 Search for helices and strands: 0 residues in 0 chains, 10330 seeds are put forward NCS extension: 0 residues added, 10330 seeds are put forward Round 1: 596 peptides, 99 chains. Longest chain 19 peptides. Score 0.454 Round 2: 751 peptides, 101 chains. Longest chain 33 peptides. Score 0.615 Round 3: 801 peptides, 93 chains. Longest chain 30 peptides. Score 0.690 Round 4: 843 peptides, 85 chains. Longest chain 49 peptides. Score 0.747 Round 5: 857 peptides, 86 chains. Longest chain 36 peptides. Score 0.754 Taking the results from Round 5 Chains 94, Residues 771, Estimated correctness of the model 75.8 % 8 chains (112 residues) have been docked in sequence Building loops using Loopy2018 94 chains (771 residues) following loop building 8 chains (112 residues) in sequence following loop building ------------------------------------------------------ 20273 reflections ( 99.79 % complete ) and 16103 restraints for refining 8296 atoms. 12677 conditional restraints added. Observations/parameters ratio is 0.61 ------------------------------------------------------ Cycle 1: After refmac, R = 0.2784 (Rfree = 0.000) for 8296 atoms. Found 74 (74 requested) and removed 62 (37 requested) atoms. Cycle 2: After refmac, R = 0.2585 (Rfree = 0.000) for 8178 atoms. Found 57 (73 requested) and removed 46 (37 requested) atoms. Cycle 3: After refmac, R = 0.2579 (Rfree = 0.000) for 8129 atoms. Found 43 (70 requested) and removed 45 (36 requested) atoms. Cycle 4: After refmac, R = 0.2457 (Rfree = 0.000) for 8097 atoms. Found 35 (68 requested) and removed 42 (36 requested) atoms. Cycle 5: After refmac, R = 0.2426 (Rfree = 0.000) for 8058 atoms. Found 31 (66 requested) and removed 42 (36 requested) atoms. ------------------------------------------------------ Building Cycle 2 Atomic shape factors 2.96 3.04 Search for helices and strands: 0 residues in 0 chains, 8287 seeds are put forward NCS extension: 21 residues added (1 deleted due to clashes), 8308 seeds are put forward Round 1: 795 peptides, 94 chains. Longest chain 31 peptides. Score 0.682 Round 2: 861 peptides, 86 chains. Longest chain 33 peptides. Score 0.756 Round 3: 879 peptides, 81 chains. Longest chain 34 peptides. Score 0.781 Round 4: 863 peptides, 81 chains. Longest chain 37 peptides. Score 0.772 Round 5: 871 peptides, 83 chains. Longest chain 36 peptides. Score 0.771 Taking the results from Round 3 Chains 89, Residues 798, Estimated correctness of the model 80.4 % 13 chains (236 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 245 C and 256 C Built loop between residues 209 B and 216 B 85 chains (808 residues) following loop building 11 chains (252 residues) in sequence following loop building ------------------------------------------------------ 20273 reflections ( 99.79 % complete ) and 14872 restraints for refining 8293 atoms. 10800 conditional restraints added. Observations/parameters ratio is 0.61 ------------------------------------------------------ Cycle 6: After refmac, R = 0.2728 (Rfree = 0.000) for 8293 atoms. Found 67 (67 requested) and removed 87 (37 requested) atoms. Cycle 7: After refmac, R = 0.2520 (Rfree = 0.000) for 8212 atoms. Found 40 (65 requested) and removed 47 (37 requested) atoms. Cycle 8: After refmac, R = 0.2444 (Rfree = 0.000) for 8171 atoms. Found 31 (63 requested) and removed 45 (36 requested) atoms. Cycle 9: After refmac, R = 0.2370 (Rfree = 0.000) for 8148 atoms. Found 28 (61 requested) and removed 36 (36 requested) atoms. Cycle 10: After refmac, R = 0.2325 (Rfree = 0.000) for 8130 atoms. Found 24 (60 requested) and removed 36 (36 requested) atoms. ------------------------------------------------------ Building Cycle 3 Atomic shape factors 2.96 3.04 Search for helices and strands: 0 residues in 0 chains, 8343 seeds are put forward NCS extension: 60 residues added (15 deleted due to clashes), 8403 seeds are put forward Round 1: 785 peptides, 89 chains. Longest chain 30 peptides. Score 0.692 Round 2: 844 peptides, 85 chains. Longest chain 34 peptides. Score 0.748 Round 3: 835 peptides, 85 chains. Longest chain 35 peptides. Score 0.742 Round 4: 845 peptides, 89 chains. Longest chain 33 peptides. Score 0.736 Round 5: 826 peptides, 81 chains. Longest chain 30 peptides. Score 0.749 Taking the results from Round 5 Chains 82, Residues 745, Estimated correctness of the model 74.9 % 10 chains (141 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 184 B and 190 B 81 chains (749 residues) following loop building 9 chains (146 residues) in sequence following loop building ------------------------------------------------------ 20273 reflections ( 99.79 % complete ) and 16285 restraints for refining 8296 atoms. 12857 conditional restraints added. Observations/parameters ratio is 0.61 ------------------------------------------------------ Cycle 11: After refmac, R = 0.2942 (Rfree = 0.000) for 8296 atoms. Found 59 (59 requested) and removed 63 (37 requested) atoms. Cycle 12: After refmac, R = 0.2758 (Rfree = 0.000) for 8250 atoms. Found 56 (58 requested) and removed 56 (37 requested) atoms. Cycle 13: After refmac, R = 0.2505 (Rfree = 0.000) for 8215 atoms. Found 53 (56 requested) and removed 44 (37 requested) atoms. Cycle 14: After refmac, R = 0.2382 (Rfree = 0.000) for 8204 atoms. Found 32 (54 requested) and removed 40 (36 requested) atoms. Cycle 15: After refmac, R = 0.2344 (Rfree = 0.000) for 8179 atoms. Found 28 (53 requested) and removed 42 (36 requested) atoms. ------------------------------------------------------ Building Cycle 4 Atomic shape factors 3.00 3.08 Search for helices and strands: 0 residues in 0 chains, 8397 seeds are put forward NCS extension: 16 residues added (37 deleted due to clashes), 8413 seeds are put forward Round 1: 756 peptides, 91 chains. Longest chain 24 peptides. Score 0.661 Round 2: 804 peptides, 80 chains. Longest chain 28 peptides. Score 0.737 Round 3: 829 peptides, 83 chains. Longest chain 42 peptides. Score 0.745 Round 4: 797 peptides, 89 chains. Longest chain 32 peptides. Score 0.701 Round 5: 831 peptides, 82 chains. Longest chain 33 peptides. Score 0.749 Taking the results from Round 5 Chains 82, Residues 749, Estimated correctness of the model 74.9 % 5 chains (85 residues) have been docked in sequence Building loops using Loopy2018 82 chains (749 residues) following loop building 5 chains (85 residues) in sequence following loop building ------------------------------------------------------ 20273 reflections ( 99.79 % complete ) and 16856 restraints for refining 8296 atoms. 13626 conditional restraints added. Observations/parameters ratio is 0.61 ------------------------------------------------------ Cycle 16: After refmac, R = 0.2614 (Rfree = 0.000) for 8296 atoms. Found 52 (52 requested) and removed 52 (37 requested) atoms. Cycle 17: After refmac, R = 0.2462 (Rfree = 0.000) for 8270 atoms. Found 44 (50 requested) and removed 41 (37 requested) atoms. Cycle 18: After refmac, R = 0.2400 (Rfree = 0.000) for 8254 atoms. Found 46 (49 requested) and removed 41 (37 requested) atoms. Cycle 19: After refmac, R = 0.2315 (Rfree = 0.000) for 8249 atoms. Found 28 (47 requested) and removed 43 (37 requested) atoms. Cycle 20: After refmac, R = 0.2282 (Rfree = 0.000) for 8221 atoms. Found 31 (45 requested) and removed 36 (36 requested) atoms. ------------------------------------------------------ Building Cycle 5 Atomic shape factors 2.97 3.05 Search for helices and strands: 0 residues in 0 chains, 8465 seeds are put forward NCS extension: 31 residues added (12 deleted due to clashes), 8496 seeds are put forward Round 1: 711 peptides, 89 chains. Longest chain 30 peptides. Score 0.628 Round 2: 774 peptides, 82 chains. Longest chain 32 peptides. Score 0.709 Round 3: 761 peptides, 86 chains. Longest chain 46 peptides. Score 0.684 Round 4: 771 peptides, 73 chains. Longest chain 32 peptides. Score 0.737 Round 5: 787 peptides, 90 chains. Longest chain 34 peptides. Score 0.690 Taking the results from Round 4 Chains 83, Residues 698, Estimated correctness of the model 72.6 % 10 chains (151 residues) have been docked in sequence Building loops using Loopy2018 83 chains (698 residues) following loop building 10 chains (151 residues) in sequence following loop building ------------------------------------------------------ 20273 reflections ( 99.79 % complete ) and 16134 restraints for refining 8297 atoms. 12824 conditional restraints added. Observations/parameters ratio is 0.61 ------------------------------------------------------ Cycle 21: After refmac, R = 0.2582 (Rfree = 0.000) for 8297 atoms. Found 44 (44 requested) and removed 58 (37 requested) atoms. Cycle 22: After refmac, R = 0.2395 (Rfree = 0.000) for 8267 atoms. Found 33 (43 requested) and removed 42 (37 requested) atoms. Cycle 23: After refmac, R = 0.2334 (Rfree = 0.000) for 8243 atoms. Found 41 (41 requested) and removed 41 (37 requested) atoms. Cycle 24: After refmac, R = 0.2300 (Rfree = 0.000) for 8228 atoms. Found 33 (39 requested) and removed 40 (36 requested) atoms. Cycle 25: After refmac, R = 0.2211 (Rfree = 0.000) for 8216 atoms. Found 37 (38 requested) and removed 39 (36 requested) atoms. ------------------------------------------------------ Building Cycle 6 Atomic shape factors 3.01 3.09 Search for helices and strands: 0 residues in 0 chains, 8449 seeds are put forward NCS extension: 19 residues added (2 deleted due to clashes), 8468 seeds are put forward Round 1: 703 peptides, 90 chains. Longest chain 24 peptides. Score 0.616 Round 2: 777 peptides, 79 chains. Longest chain 33 peptides. Score 0.721 Round 3: 782 peptides, 81 chains. Longest chain 36 peptides. Score 0.718 Round 4: 807 peptides, 89 chains. Longest chain 30 peptides. Score 0.709 Round 5: 769 peptides, 91 chains. Longest chain 24 peptides. Score 0.672 Taking the results from Round 2 Chains 85, Residues 698, Estimated correctness of the model 69.5 % 10 chains (122 residues) have been docked in sequence Building loops using Loopy2018 85 chains (698 residues) following loop building 10 chains (122 residues) in sequence following loop building ------------------------------------------------------ 20273 reflections ( 99.79 % complete ) and 16641 restraints for refining 8297 atoms. 13474 conditional restraints added. Observations/parameters ratio is 0.61 ------------------------------------------------------ Cycle 26: After refmac, R = 0.2421 (Rfree = 0.000) for 8297 atoms. Found 37 (37 requested) and removed 57 (37 requested) atoms. Cycle 27: After refmac, R = 0.2309 (Rfree = 0.000) for 8252 atoms. Found 37 (37 requested) and removed 42 (37 requested) atoms. Cycle 28: After refmac, R = 0.2288 (Rfree = 0.000) for 8236 atoms. Found 37 (37 requested) and removed 38 (37 requested) atoms. Cycle 29: After refmac, R = 0.2207 (Rfree = 0.000) for 8228 atoms. Found 36 (36 requested) and removed 36 (36 requested) atoms. Cycle 30: After refmac, R = 0.2239 (Rfree = 0.000) for 8223 atoms. Found 35 (36 requested) and removed 36 (36 requested) atoms. ------------------------------------------------------ Building Cycle 7 Atomic shape factors 2.98 3.06 Search for helices and strands: 0 residues in 0 chains, 8436 seeds are put forward NCS extension: 15 residues added (6 deleted due to clashes), 8451 seeds are put forward Round 1: 687 peptides, 92 chains. Longest chain 17 peptides. Score 0.592 Round 2: 757 peptides, 84 chains. Longest chain 27 peptides. Score 0.688 Round 3: 773 peptides, 89 chains. Longest chain 23 peptides. Score 0.682 Round 4: 785 peptides, 83 chains. Longest chain 25 peptides. Score 0.713 Round 5: 815 peptides, 84 chains. Longest chain 39 peptides. Score 0.732 Taking the results from Round 5 Chains 90, Residues 731, Estimated correctness of the model 71.7 % 6 chains (99 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 215 D and 225 D 90 chains (738 residues) following loop building 5 chains (108 residues) in sequence following loop building ------------------------------------------------------ 20273 reflections ( 99.79 % complete ) and 16683 restraints for refining 8295 atoms. 13458 conditional restraints added. Observations/parameters ratio is 0.61 ------------------------------------------------------ Cycle 31: After refmac, R = 0.2623 (Rfree = 0.000) for 8295 atoms. Found 37 (37 requested) and removed 61 (37 requested) atoms. Cycle 32: After refmac, R = 0.2453 (Rfree = 0.000) for 8241 atoms. Found 37 (37 requested) and removed 43 (37 requested) atoms. Cycle 33: After refmac, R = 0.2397 (Rfree = 0.000) for 8218 atoms. Found 36 (36 requested) and removed 37 (36 requested) atoms. Cycle 34: After refmac, R = 0.2378 (Rfree = 0.000) for 8206 atoms. Found 36 (36 requested) and removed 36 (36 requested) atoms. Cycle 35: After refmac, R = 0.2287 (Rfree = 0.000) for 8197 atoms. Found 36 (36 requested) and removed 36 (36 requested) atoms. ------------------------------------------------------ Building Cycle 8 Atomic shape factors 3.02 3.10 Search for helices and strands: 0 residues in 0 chains, 8461 seeds are put forward NCS extension: 10 residues added (18 deleted due to clashes), 8471 seeds are put forward Round 1: 713 peptides, 90 chains. Longest chain 24 peptides. Score 0.626 Round 2: 754 peptides, 79 chains. Longest chain 33 peptides. Score 0.704 Round 3: 735 peptides, 81 chains. Longest chain 39 peptides. Score 0.681 Round 4: 763 peptides, 84 chains. Longest chain 22 peptides. Score 0.693 Round 5: 751 peptides, 86 chains. Longest chain 27 peptides. Score 0.676 Taking the results from Round 2 Chains 84, Residues 675, Estimated correctness of the model 66.0 % 8 chains (104 residues) have been docked in sequence Building loops using Loopy2018 84 chains (675 residues) following loop building 8 chains (104 residues) in sequence following loop building ------------------------------------------------------ 20273 reflections ( 99.79 % complete ) and 16930 restraints for refining 8297 atoms. 13880 conditional restraints added. Observations/parameters ratio is 0.61 ------------------------------------------------------ Cycle 36: After refmac, R = 0.2547 (Rfree = 0.000) for 8297 atoms. Found 37 (37 requested) and removed 49 (37 requested) atoms. Cycle 37: After refmac, R = 0.2439 (Rfree = 0.000) for 8271 atoms. Found 37 (37 requested) and removed 42 (37 requested) atoms. Cycle 38: After refmac, R = 0.2360 (Rfree = 0.000) for 8255 atoms. Found 37 (37 requested) and removed 39 (37 requested) atoms. Cycle 39: After refmac, R = 0.2279 (Rfree = 0.000) for 8246 atoms. Found 34 (37 requested) and removed 38 (37 requested) atoms. Cycle 40: After refmac, R = 0.2222 (Rfree = 0.000) for 8235 atoms. Found 26 (36 requested) and removed 36 (36 requested) atoms. ------------------------------------------------------ Building Cycle 9 Atomic shape factors 2.99 3.07 Search for helices and strands: 0 residues in 0 chains, 8456 seeds are put forward NCS extension: 10 residues added (8 deleted due to clashes), 8466 seeds are put forward Round 1: 636 peptides, 85 chains. Longest chain 18 peptides. Score 0.571 Round 2: 720 peptides, 83 chains. Longest chain 21 peptides. Score 0.661 Round 3: 736 peptides, 85 chains. Longest chain 27 peptides. Score 0.667 Round 4: 748 peptides, 78 chains. Longest chain 31 peptides. Score 0.703 Round 5: 752 peptides, 80 chains. Longest chain 40 peptides. Score 0.699 Taking the results from Round 4 Chains 82, Residues 670, Estimated correctness of the model 65.8 % 8 chains (117 residues) have been docked in sequence Building loops using Loopy2018 82 chains (670 residues) following loop building 8 chains (117 residues) in sequence following loop building ------------------------------------------------------ 20273 reflections ( 99.79 % complete ) and 16661 restraints for refining 8297 atoms. 13550 conditional restraints added. Observations/parameters ratio is 0.61 ------------------------------------------------------ Cycle 41: After refmac, R = 0.2538 (Rfree = 0.000) for 8297 atoms. Found 37 (37 requested) and removed 58 (37 requested) atoms. Cycle 42: After refmac, R = 0.2419 (Rfree = 0.000) for 8256 atoms. Found 37 (37 requested) and removed 41 (37 requested) atoms. Cycle 43: After refmac, R = 0.2380 (Rfree = 0.000) for 8239 atoms. Found 37 (37 requested) and removed 37 (37 requested) atoms. Cycle 44: After refmac, R = 0.2337 (Rfree = 0.000) for 8228 atoms. Found 36 (36 requested) and removed 36 (36 requested) atoms. Cycle 45: After refmac, R = 0.2306 (Rfree = 0.000) for 8215 atoms. Found 36 (36 requested) and removed 36 (36 requested) atoms. ------------------------------------------------------ Building Cycle 10 Atomic shape factors 3.02 3.10 Search for helices and strands: 0 residues in 0 chains, 8477 seeds are put forward NCS extension: 15 residues added (14 deleted due to clashes), 8492 seeds are put forward Round 1: 648 peptides, 96 chains. Longest chain 21 peptides. Score 0.531 Round 2: 725 peptides, 88 chains. Longest chain 32 peptides. Score 0.645 Round 3: 728 peptides, 83 chains. Longest chain 29 peptides. Score 0.668 Round 4: 756 peptides, 89 chains. Longest chain 35 peptides. Score 0.668 Round 5: 731 peptides, 84 chains. Longest chain 33 peptides. Score 0.666 Taking the results from Round 4 Last building cycle: Chain fragments will be rearranged Chains 95, Residues 667, Estimated correctness of the model 58.1 % 6 chains (100 residues) have been docked in sequence Sequence coverage is 14 % Consider running further cycles of model building using 2hx1-3_warpNtrace.pdb as input Building loops using Loopy2018 95 chains (667 residues) following loop building 6 chains (100 residues) in sequence following loop building ------------------------------------------------------ ---> Final restrained refinement block. No atom update. 20273 reflections ( 99.79 % complete ) and 17092 restraints for refining 8296 atoms. 14113 conditional restraints added. Observations/parameters ratio is 0.61 ------------------------------------------------------ Cycle 46: After refmac, R = 0.2669 (Rfree = 0.000) for 8296 atoms. Found 0 (37 requested) and removed 37 (37 requested) atoms. Cycle 47: After refmac, R = 0.2596 (Rfree = 0.000) for 8240 atoms. Found 0 (37 requested) and removed 34 (37 requested) atoms. Cycle 48: After refmac, R = 0.2473 (Rfree = 0.000) for 8201 atoms. Found 0 (36 requested) and removed 21 (36 requested) atoms. Cycle 49: After refmac, R = 0.2408 (Rfree = 0.000) for 8174 atoms. Found 0 (36 requested) and removed 13 (36 requested) atoms. Writing output files ... Normal termination of warpNtrace Mon 24 Dec 02:17:50 GMT 2018 Job finished. TimeTaking 97.83 Used memory is bytes: 8379296