null Mon 24 Dec 07:36:55 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 2o1q-2.0-parrot-noncs X-ray data file /users/emra500/scratch/Dataset/noncsChltofom/2o1q-2.0-parrot-noncs.mtz Sequence file /users/emra500/scratch/Dataset/noncsChltofom/2o1q-2.0-parrot-noncs.fasta Tracing mode WARPNTRACEPHASES Creating directory /mnt/lustre/users/emra500/PipeliensFastaNoRFree/noncs/ArpWArp/wArpResults/WorkingDir/2o1q-2.0-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/2o1q-2.0-parrot-noncs/arp_warp_classic.par Job launched in /mnt/lustre/users/emra500/PipeliensFastaNoRFree/noncs/ArpWArp/wArpResults/WorkingDir/2o1q-2.0-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 07:36:59 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/2o1q-2.0-parrot-noncs ARP/wARP software version: 8.0 The parameter file: /mnt/lustre/users/emra500/PipeliensFastaNoRFree/noncs/ArpWArp/wArpResults/WorkingDir/2o1q-2.0-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 245 and 0 Target number of residues in the AU: 245 Target solvent content: 0.4812 Checking the provided sequence file Detected sequence length: 145 Maximum limit of NCS related copies: 60 Number of NCS-related molecules: 2 Adjusted target number of residues: 290 Adjusted target solvent content: 0.39 Input MTZ file: 2o1q-2.0-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: 92 Cell parameters: 61.883 61.883 133.475 90.000 90.000 90.000 Input sequence file: 2o1q-2.0-parrot-noncs.fasta_lf Building free atoms model in initial map for 2320 target number of atoms Had to go as low as 0.40 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: 56.142 2.000 Wilson plot Bfac: 19.83 18257 reflections ( 99.95 % complete ) and 0 restraints for refining 2565 atoms. Observations/parameters ratio is 1.78 ------------------------------------------------------ Starting model: R = 0.3323 (Rfree = 0.000). ------------------------------------------------------ Cycle 0: After refmac, R = 0.2745 (Rfree = 0.000) for 2565 atoms. Found 87 (87 requested) and removed 48 (43 requested) atoms. ------------------------------------------------------ Building Cycle 1 Atomic shape factors 1.96 2.27 NCS extension: 0 residues added, 2604 seeds are put forward Round 1: 205 peptides, 20 chains. Longest chain 33 peptides. Score 0.790 Round 2: 208 peptides, 15 chains. Longest chain 38 peptides. Score 0.850 Round 3: 233 peptides, 15 chains. Longest chain 35 peptides. Score 0.888 Round 4: 246 peptides, 14 chains. Longest chain 50 peptides. Score 0.910 Round 5: 255 peptides, 10 chains. Longest chain 74 peptides. Score 0.939 Taking the results from Round 5 Chains 11, Residues 245, Estimated correctness of the model 99.6 % 7 chains (227 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 125 A and 128 A Built loop between residues 25 B and 29 B Built loop between residues 106 B and 109 B 8 chains (252 residues) following loop building 4 chains (234 residues) in sequence following loop building ------------------------------------------------------ 18257 reflections ( 99.95 % complete ) and 2734 restraints for refining 2366 atoms. 763 conditional restraints added. Observations/parameters ratio is 1.93 ------------------------------------------------------ Cycle 1: After refmac, R = 0.2933 (Rfree = 0.000) for 2366 atoms. Found 75 (81 requested) and removed 50 (40 requested) atoms. Cycle 2: After refmac, R = 0.2541 (Rfree = 0.000) for 2386 atoms. Found 73 (79 requested) and removed 39 (40 requested) atoms. Cycle 3: After refmac, R = 0.2320 (Rfree = 0.000) for 2411 atoms. Found 48 (79 requested) and removed 28 (41 requested) atoms. Cycle 4: After refmac, R = 0.2187 (Rfree = 0.000) for 2420 atoms. Found 42 (78 requested) and removed 16 (41 requested) atoms. Cycle 5: After refmac, R = 0.2073 (Rfree = 0.000) for 2444 atoms. Found 26 (78 requested) and removed 16 (41 requested) atoms. ------------------------------------------------------ Building Cycle 2 Atomic shape factors 1.92 2.23 NCS extension: 5 residues added (13 deleted due to clashes), 2464 seeds are put forward Round 1: 261 peptides, 8 chains. Longest chain 76 peptides. Score 0.952 Round 2: 266 peptides, 7 chains. Longest chain 76 peptides. Score 0.958 Round 3: 266 peptides, 7 chains. Longest chain 76 peptides. Score 0.958 Round 4: 267 peptides, 8 chains. Longest chain 77 peptides. Score 0.955 Round 5: 267 peptides, 8 chains. Longest chain 77 peptides. Score 0.955 Taking the results from Round 3 Chains 7, Residues 259, Estimated correctness of the model 99.8 % 5 chains (250 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 106 B and 109 B 6 chains (261 residues) following loop building 4 chains (252 residues) in sequence following loop building ------------------------------------------------------ 18257 reflections ( 99.95 % complete ) and 2685 restraints for refining 2418 atoms. 612 conditional restraints added. Observations/parameters ratio is 1.89 ------------------------------------------------------ Cycle 6: After refmac, R = 0.2089 (Rfree = 0.000) for 2418 atoms. Found 63 (75 requested) and removed 45 (41 requested) atoms. Cycle 7: After refmac, R = 0.1967 (Rfree = 0.000) for 2430 atoms. Found 64 (75 requested) and removed 18 (41 requested) atoms. Cycle 8: After refmac, R = 0.1853 (Rfree = 0.000) for 2474 atoms. Found 43 (76 requested) and removed 24 (42 requested) atoms. Cycle 9: After refmac, R = 0.1779 (Rfree = 0.000) for 2489 atoms. Found 40 (75 requested) and removed 23 (42 requested) atoms. Cycle 10: After refmac, R = 0.1729 (Rfree = 0.000) for 2503 atoms. Found 48 (73 requested) and removed 26 (42 requested) atoms. ------------------------------------------------------ Building Cycle 3 Atomic shape factors 1.93 2.24 NCS extension: 1 residues added (2 deleted due to clashes), 2527 seeds are put forward Round 1: 268 peptides, 7 chains. Longest chain 77 peptides. Score 0.959 Round 2: 269 peptides, 7 chains. Longest chain 77 peptides. Score 0.960 Round 3: 268 peptides, 7 chains. Longest chain 77 peptides. Score 0.959 Round 4: 266 peptides, 7 chains. Longest chain 77 peptides. Score 0.958 Round 5: 266 peptides, 9 chains. Longest chain 75 peptides. Score 0.950 Taking the results from Round 2 Chains 8, Residues 262, Estimated correctness of the model 99.8 % 5 chains (252 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 106 A and 109 A 7 chains (264 residues) following loop building 4 chains (254 residues) in sequence following loop building ------------------------------------------------------ 18257 reflections ( 99.95 % complete ) and 2640 restraints for refining 2436 atoms. 545 conditional restraints added. Observations/parameters ratio is 1.87 ------------------------------------------------------ Cycle 11: After refmac, R = 0.1850 (Rfree = 0.000) for 2436 atoms. Found 70 (70 requested) and removed 33 (41 requested) atoms. Cycle 12: After refmac, R = 0.1734 (Rfree = 0.000) for 2470 atoms. Found 68 (71 requested) and removed 17 (42 requested) atoms. Cycle 13: After refmac, R = 0.1661 (Rfree = 0.000) for 2521 atoms. Found 46 (72 requested) and removed 37 (43 requested) atoms. Cycle 14: After refmac, R = 0.1625 (Rfree = 0.000) for 2528 atoms. Found 58 (71 requested) and removed 31 (43 requested) atoms. Cycle 15: After refmac, R = 0.1607 (Rfree = 0.000) for 2552 atoms. Found 49 (70 requested) and removed 39 (43 requested) atoms. ------------------------------------------------------ Building Cycle 4 Atomic shape factors 1.93 2.24 NCS extension: 0 residues added, 2564 seeds are put forward Round 1: 266 peptides, 8 chains. Longest chain 75 peptides. Score 0.954 Round 2: 271 peptides, 7 chains. Longest chain 75 peptides. Score 0.961 Round 3: 269 peptides, 8 chains. Longest chain 79 peptides. Score 0.956 Round 4: 274 peptides, 6 chains. Longest chain 87 peptides. Score 0.966 Round 5: 275 peptides, 6 chains. Longest chain 87 peptides. Score 0.966 Taking the results from Round 5 Chains 6, Residues 269, Estimated correctness of the model 99.9 % 5 chains (266 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 89 A and 92 A Built loop between residues 102 A and 104 A 4 chains (272 residues) following loop building 3 chains (269 residues) in sequence following loop building ------------------------------------------------------ 18257 reflections ( 99.95 % complete ) and 2552 restraints for refining 2468 atoms. 388 conditional restraints added. Observations/parameters ratio is 1.85 ------------------------------------------------------ Cycle 16: After refmac, R = 0.1810 (Rfree = 0.000) for 2468 atoms. Found 66 (66 requested) and removed 39 (42 requested) atoms. Cycle 17: After refmac, R = 0.1696 (Rfree = 0.000) for 2492 atoms. Found 58 (65 requested) and removed 20 (42 requested) atoms. Cycle 18: After refmac, R = 0.1631 (Rfree = 0.000) for 2529 atoms. Found 59 (65 requested) and removed 22 (43 requested) atoms. Cycle 19: After refmac, R = 0.1593 (Rfree = 0.000) for 2564 atoms. Found 41 (66 requested) and removed 43 (43 requested) atoms. Cycle 20: After refmac, R = 0.1572 (Rfree = 0.000) for 2561 atoms. Found 52 (64 requested) and removed 33 (43 requested) atoms. ------------------------------------------------------ Building Cycle 5 Atomic shape factors 1.92 2.23 NCS extension: 11 residues added (140 deleted due to clashes), 2592 seeds are put forward Round 1: 277 peptides, 7 chains. Longest chain 88 peptides. Score 0.963 Round 2: 278 peptides, 7 chains. Longest chain 88 peptides. Score 0.964 Round 3: 279 peptides, 6 chains. Longest chain 88 peptides. Score 0.968 Round 4: 277 peptides, 6 chains. Longest chain 89 peptides. Score 0.967 Round 5: 279 peptides, 6 chains. Longest chain 89 peptides. Score 0.968 Taking the results from Round 5 Chains 8, Residues 273, Estimated correctness of the model 99.9 % 6 chains (270 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 77 A and 81 A Built loop between residues 89 A and 94 A Built loop between residues 90 B and 93 B Built loop between residues 101 B and 104 B 2 chains (281 residues) following loop building 2 chains (281 residues) in sequence following loop building ------------------------------------------------------ 18257 reflections ( 99.95 % complete ) and 2490 restraints for refining 2491 atoms. 264 conditional restraints added. Observations/parameters ratio is 1.83 ------------------------------------------------------ Cycle 21: After refmac, R = 0.1786 (Rfree = 0.000) for 2491 atoms. Found 61 (61 requested) and removed 41 (42 requested) atoms. Cycle 22: After refmac, R = 0.1681 (Rfree = 0.000) for 2507 atoms. Found 59 (59 requested) and removed 24 (42 requested) atoms. Cycle 23: After refmac, R = 0.1607 (Rfree = 0.000) for 2541 atoms. Found 55 (61 requested) and removed 32 (43 requested) atoms. Cycle 24: After refmac, R = 0.1575 (Rfree = 0.000) for 2563 atoms. Found 58 (59 requested) and removed 36 (43 requested) atoms. Cycle 25: After refmac, R = 0.1570 (Rfree = 0.000) for 2583 atoms. Found 56 (58 requested) and removed 41 (44 requested) atoms. ------------------------------------------------------ Building Cycle 6 Atomic shape factors 1.92 2.23 NCS extension: 8 residues added (139 deleted due to clashes), 2608 seeds are put forward Round 1: 276 peptides, 6 chains. Longest chain 87 peptides. Score 0.967 Round 2: 278 peptides, 5 chains. Longest chain 88 peptides. Score 0.971 Round 3: 277 peptides, 6 chains. Longest chain 88 peptides. Score 0.967 Round 4: 278 peptides, 4 chains. Longest chain 88 peptides. Score 0.974 Round 5: 278 peptides, 4 chains. Longest chain 88 peptides. Score 0.974 Taking the results from Round 5 Chains 7, Residues 274, Estimated correctness of the model 99.9 % 4 chains (259 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 87 A and 94 A Built loop between residues 87 B and 94 B 3 chains (280 residues) following loop building 2 chains (271 residues) in sequence following loop building ------------------------------------------------------ 18257 reflections ( 99.95 % complete ) and 2565 restraints for refining 2475 atoms. 391 conditional restraints added. Observations/parameters ratio is 1.84 ------------------------------------------------------ Cycle 26: After refmac, R = 0.1791 (Rfree = 0.000) for 2475 atoms. Found 54 (54 requested) and removed 30 (42 requested) atoms. Cycle 27: After refmac, R = 0.1691 (Rfree = 0.000) for 2496 atoms. Found 53 (53 requested) and removed 18 (42 requested) atoms. Cycle 28: After refmac, R = 0.1618 (Rfree = 0.000) for 2531 atoms. Found 53 (53 requested) and removed 24 (43 requested) atoms. Cycle 29: After refmac, R = 0.1588 (Rfree = 0.000) for 2558 atoms. Found 54 (54 requested) and removed 38 (43 requested) atoms. Cycle 30: After refmac, R = 0.1567 (Rfree = 0.000) for 2573 atoms. Found 53 (53 requested) and removed 35 (44 requested) atoms. ------------------------------------------------------ Building Cycle 7 Atomic shape factors 1.92 2.23 NCS extension: 7 residues added (143 deleted due to clashes), 2601 seeds are put forward Round 1: 276 peptides, 5 chains. Longest chain 88 peptides. Score 0.970 Round 2: 277 peptides, 6 chains. Longest chain 88 peptides. Score 0.967 Round 3: 278 peptides, 5 chains. Longest chain 88 peptides. Score 0.971 Round 4: 277 peptides, 5 chains. Longest chain 88 peptides. Score 0.970 Round 5: 277 peptides, 5 chains. Longest chain 88 peptides. Score 0.970 Taking the results from Round 3 Chains 7, Residues 273, Estimated correctness of the model 99.9 % 5 chains (267 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 87 A and 93 A Built loop between residues 87 B and 94 B Built loop between residues 106 B and 109 B 2 chains (280 residues) following loop building 2 chains (280 residues) in sequence following loop building ------------------------------------------------------ 18257 reflections ( 99.95 % complete ) and 2505 restraints for refining 2487 atoms. 287 conditional restraints added. Observations/parameters ratio is 1.84 ------------------------------------------------------ Cycle 31: After refmac, R = 0.1731 (Rfree = 0.000) for 2487 atoms. Found 49 (49 requested) and removed 38 (42 requested) atoms. Cycle 32: After refmac, R = 0.1649 (Rfree = 0.000) for 2496 atoms. Found 48 (48 requested) and removed 14 (42 requested) atoms. Cycle 33: After refmac, R = 0.1599 (Rfree = 0.000) for 2528 atoms. Found 48 (48 requested) and removed 21 (43 requested) atoms. Cycle 34: After refmac, R = 0.1560 (Rfree = 0.000) for 2551 atoms. Found 49 (49 requested) and removed 29 (43 requested) atoms. Cycle 35: After refmac, R = 0.1544 (Rfree = 0.000) for 2569 atoms. Found 48 (48 requested) and removed 34 (44 requested) atoms. ------------------------------------------------------ Building Cycle 8 Atomic shape factors 1.92 2.23 NCS extension: 2 residues added (139 deleted due to clashes), 2586 seeds are put forward Round 1: 277 peptides, 5 chains. Longest chain 87 peptides. Score 0.970 Round 2: 276 peptides, 5 chains. Longest chain 88 peptides. Score 0.970 Round 3: 278 peptides, 5 chains. Longest chain 88 peptides. Score 0.971 Round 4: 277 peptides, 4 chains. Longest chain 88 peptides. Score 0.974 Round 5: 275 peptides, 6 chains. Longest chain 87 peptides. Score 0.966 Taking the results from Round 4 Chains 5, Residues 273, Estimated correctness of the model 99.9 % 4 chains (270 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 87 A and 94 A Built loop between residues 89 B and 94 B 2 chains (280 residues) following loop building 2 chains (280 residues) in sequence following loop building ------------------------------------------------------ 18257 reflections ( 99.95 % complete ) and 2524 restraints for refining 2487 atoms. 306 conditional restraints added. Observations/parameters ratio is 1.84 ------------------------------------------------------ Cycle 36: After refmac, R = 0.1707 (Rfree = 0.000) for 2487 atoms. Found 44 (44 requested) and removed 34 (42 requested) atoms. Cycle 37: After refmac, R = 0.1616 (Rfree = 0.000) for 2495 atoms. Found 42 (42 requested) and removed 11 (42 requested) atoms. Cycle 38: After refmac, R = 0.1552 (Rfree = 0.000) for 2525 atoms. Found 43 (43 requested) and removed 20 (43 requested) atoms. Cycle 39: After refmac, R = 0.1530 (Rfree = 0.000) for 2547 atoms. Found 43 (43 requested) and removed 28 (43 requested) atoms. Cycle 40: After refmac, R = 0.1522 (Rfree = 0.000) for 2559 atoms. Found 43 (43 requested) and removed 32 (43 requested) atoms. ------------------------------------------------------ Building Cycle 9 Atomic shape factors 1.92 2.23 NCS extension: 4 residues added (137 deleted due to clashes), 2577 seeds are put forward Round 1: 277 peptides, 5 chains. Longest chain 88 peptides. Score 0.970 Round 2: 277 peptides, 5 chains. Longest chain 88 peptides. Score 0.970 Round 3: 278 peptides, 5 chains. Longest chain 89 peptides. Score 0.971 Round 4: 279 peptides, 5 chains. Longest chain 89 peptides. Score 0.971 Round 5: 275 peptides, 5 chains. Longest chain 89 peptides. Score 0.970 Taking the results from Round 4 Chains 6, Residues 274, Estimated correctness of the model 99.9 % 5 chains (271 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 90 A and 93 A Built loop between residues 102 A and 105 A Built loop between residues 87 B and 94 B 2 chains (281 residues) following loop building 2 chains (281 residues) in sequence following loop building ------------------------------------------------------ 18257 reflections ( 99.95 % complete ) and 2514 restraints for refining 2487 atoms. 288 conditional restraints added. Observations/parameters ratio is 1.84 ------------------------------------------------------ Cycle 41: After refmac, R = 0.1780 (Rfree = 0.000) for 2487 atoms. Found 42 (42 requested) and removed 42 (42 requested) atoms. Cycle 42: After refmac, R = 0.1658 (Rfree = 0.000) for 2486 atoms. Found 42 (42 requested) and removed 9 (42 requested) atoms. Cycle 43: After refmac, R = 0.1590 (Rfree = 0.000) for 2517 atoms. Found 43 (43 requested) and removed 17 (43 requested) atoms. Cycle 44: After refmac, R = 0.1555 (Rfree = 0.000) for 2542 atoms. Found 43 (43 requested) and removed 21 (43 requested) atoms. Cycle 45: After refmac, R = 0.1535 (Rfree = 0.000) for 2559 atoms. Found 43 (43 requested) and removed 34 (43 requested) atoms. ------------------------------------------------------ Building Cycle 10 Atomic shape factors 1.91 2.22 NCS extension: 5 residues added (137 deleted due to clashes), 2576 seeds are put forward Round 1: 277 peptides, 5 chains. Longest chain 87 peptides. Score 0.970 Round 2: 275 peptides, 5 chains. Longest chain 87 peptides. Score 0.970 Round 3: 278 peptides, 4 chains. Longest chain 88 peptides. Score 0.974 Round 4: 278 peptides, 4 chains. Longest chain 88 peptides. Score 0.974 Round 5: 277 peptides, 5 chains. Longest chain 88 peptides. Score 0.970 Taking the results from Round 4 Last building cycle: Chain fragments will be rearranged Chains 6, Residues 274, Estimated correctness of the model 99.9 % 4 chains (268 residues) have been docked in sequence Sequence coverage is 97 % All DUM atoms will be removed Building loops using Loopy2018 Built loop between residues 87 A and 94 A Built loop between residues 87 B and 94 B 2 chains (280 residues) following loop building 2 chains (280 residues) in sequence following loop building ------------------------------------------------------ ---> Final restrained refinement block. Update only waters. 18257 reflections ( 99.95 % complete ) and 2218 restraints for refining 2144 atoms. Observations/parameters ratio is 2.13 ------------------------------------------------------ Cycle 46: After refmac, R = 0.2598 (Rfree = 0.000) for 2144 atoms. Found 36 (36 requested) and removed 0 (36 requested) atoms. Cycle 47: After refmac, R = 0.2394 (Rfree = 0.000) for 2144 atoms. Found 37 (37 requested) and removed 0 (37 requested) atoms. Cycle 48: After refmac, R = 0.2223 (Rfree = 0.000) for 2144 atoms. Found 21 (37 requested) and removed 9 (37 requested) atoms. Cycle 49: After refmac, R = 0.2222 (Rfree = 0.000) for 2144 atoms. Found 14 (38 requested) and removed 4 (38 requested) atoms. Writing output files ... Normal termination of warpNtrace Mon 24 Dec 08:13:12 GMT 2018 Job finished. TimeTaking 36.29 Used memory is bytes: 3098864