Mon 24 Dec 08:02:28 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 1vl4-3.2-parrot-noncs X-ray data file /users/emra500/scratch/Dataset/noncsChltofom/1vl4-3.2-parrot-noncs.mtz Sequence file /users/emra500/scratch/Dataset/noncsChltofom/1vl4-3.2-parrot-noncs.fasta Tracing mode WARPNTRACEPHASES Creating directory /mnt/lustre/users/emra500/PipeliensFastaNoRFree/noncs/ArpWArp/wArpResults/WorkingDir/1vl4-3.2-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/1vl4-3.2-parrot-noncs/arp_warp_classic.par Job launched in /mnt/lustre/users/emra500/PipeliensFastaNoRFree/noncs/ArpWArp/wArpResults/WorkingDir/1vl4-3.2-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 08:02:33 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/1vl4-3.2-parrot-noncs ARP/wARP software version: 8.0 The parameter file: /mnt/lustre/users/emra500/PipeliensFastaNoRFree/noncs/ArpWArp/wArpResults/WorkingDir/1vl4-3.2-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 752 and 0 Target number of residues in the AU: 752 Target solvent content: 0.6045 Checking the provided sequence file Detected sequence length: 447 Maximum limit of NCS related copies: 60 Number of NCS-related molecules: 2 Adjusted target number of residues: 894 Adjusted target solvent content: 0.53 Input MTZ file: 1vl4-3.2-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: 19 Cell parameters: 80.171 107.117 119.834 90.000 90.000 90.000 Input sequence file: 1vl4-3.2-parrot-noncs.fasta_lf Building free atoms model in initial map for 7152 target number of atoms Had to go as low as 0.60 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: 79.862 3.200 Wilson plot Bfac: 54.38 17516 reflections ( 99.52 % complete ) and 0 restraints for refining 7919 atoms. Observations/parameters ratio is 0.55 ------------------------------------------------------ Starting model: R = 0.3057 (Rfree = 0.000). ------------------------------------------------------ Cycle 0: After refmac, R = 0.2682 (Rfree = 0.000) for 7919 atoms. Found 71 (71 requested) and removed 55 (35 requested) atoms. ------------------------------------------------------ Building Cycle 1 Atomic shape factors 3.08 2.96 Search for helices and strands: 0 residues in 0 chains, 8042 seeds are put forward NCS extension: 0 residues added, 8042 seeds are put forward Round 1: 458 peptides, 75 chains. Longest chain 20 peptides. Score 0.437 Round 2: 584 peptides, 72 chains. Longest chain 29 peptides. Score 0.618 Round 3: 632 peptides, 68 chains. Longest chain 25 peptides. Score 0.686 Round 4: 662 peptides, 66 chains. Longest chain 54 peptides. Score 0.721 Round 5: 656 peptides, 65 chains. Longest chain 28 peptides. Score 0.720 Taking the results from Round 4 Chains 73, Residues 596, Estimated correctness of the model 69.5 % 7 chains (129 residues) have been docked in sequence Building loops using Loopy2018 73 chains (596 residues) following loop building 7 chains (129 residues) in sequence following loop building ------------------------------------------------------ 17516 reflections ( 99.52 % complete ) and 12701 restraints for refining 6521 atoms. 9900 conditional restraints added. Observations/parameters ratio is 0.67 ------------------------------------------------------ Cycle 1: After refmac, R = 0.2772 (Rfree = 0.000) for 6521 atoms. Found 46 (58 requested) and removed 68 (29 requested) atoms. Cycle 2: After refmac, R = 0.2609 (Rfree = 0.000) for 6423 atoms. Found 31 (57 requested) and removed 43 (29 requested) atoms. Cycle 3: After refmac, R = 0.2477 (Rfree = 0.000) for 6380 atoms. Found 11 (55 requested) and removed 38 (28 requested) atoms. Cycle 4: After refmac, R = 0.2421 (Rfree = 0.000) for 6335 atoms. Found 10 (54 requested) and removed 32 (28 requested) atoms. Cycle 5: After refmac, R = 0.2411 (Rfree = 0.000) for 6303 atoms. Found 14 (52 requested) and removed 31 (28 requested) atoms. ------------------------------------------------------ Building Cycle 2 Atomic shape factors 3.04 2.92 Search for helices and strands: 0 residues in 0 chains, 6452 seeds are put forward NCS extension: 48 residues added (1 deleted due to clashes), 6500 seeds are put forward Round 1: 594 peptides, 71 chains. Longest chain 24 peptides. Score 0.634 Round 2: 629 peptides, 62 chains. Longest chain 35 peptides. Score 0.709 Round 3: 646 peptides, 57 chains. Longest chain 47 peptides. Score 0.743 Round 4: 630 peptides, 58 chains. Longest chain 51 peptides. Score 0.726 Round 5: 640 peptides, 57 chains. Longest chain 45 peptides. Score 0.739 Taking the results from Round 3 Chains 61, Residues 589, Estimated correctness of the model 73.8 % 9 chains (187 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 178 A and 181 A 60 chains (589 residues) following loop building 8 chains (189 residues) in sequence following loop building ------------------------------------------------------ 17516 reflections ( 99.52 % complete ) and 12050 restraints for refining 6528 atoms. 9062 conditional restraints added. Observations/parameters ratio is 0.67 ------------------------------------------------------ Cycle 6: After refmac, R = 0.2719 (Rfree = 0.000) for 6528 atoms. Found 41 (52 requested) and removed 65 (29 requested) atoms. Cycle 7: After refmac, R = 0.2442 (Rfree = 0.000) for 6453 atoms. Found 25 (51 requested) and removed 51 (29 requested) atoms. Cycle 8: After refmac, R = 0.2439 (Rfree = 0.000) for 6409 atoms. Found 9 (49 requested) and removed 36 (28 requested) atoms. Cycle 9: After refmac, R = 0.2424 (Rfree = 0.000) for 6368 atoms. Found 16 (48 requested) and removed 40 (28 requested) atoms. Cycle 10: After refmac, R = 0.2289 (Rfree = 0.000) for 6332 atoms. Found 13 (46 requested) and removed 37 (28 requested) atoms. ------------------------------------------------------ Building Cycle 3 Atomic shape factors 3.00 2.88 Search for helices and strands: 0 residues in 0 chains, 6487 seeds are put forward NCS extension: 90 residues added (42 deleted due to clashes), 6577 seeds are put forward Round 1: 604 peptides, 71 chains. Longest chain 26 peptides. Score 0.644 Round 2: 651 peptides, 53 chains. Longest chain 47 peptides. Score 0.762 Round 3: 643 peptides, 61 chains. Longest chain 80 peptides. Score 0.725 Round 4: 641 peptides, 58 chains. Longest chain 33 peptides. Score 0.735 Round 5: 646 peptides, 67 chains. Longest chain 53 peptides. Score 0.703 Taking the results from Round 2 Chains 61, Residues 598, Estimated correctness of the model 77.2 % 13 chains (269 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 178 A and 181 A 60 chains (599 residues) following loop building 12 chains (271 residues) in sequence following loop building ------------------------------------------------------ 17516 reflections ( 99.52 % complete ) and 11233 restraints for refining 6528 atoms. 7836 conditional restraints added. Observations/parameters ratio is 0.67 ------------------------------------------------------ Cycle 11: After refmac, R = 0.2572 (Rfree = 0.000) for 6528 atoms. Found 40 (46 requested) and removed 56 (29 requested) atoms. Failed to save intermediate PDB Cycle 12: After refmac, R = 0.2401 (Rfree = 0.000) for 6489 atoms. Found 16 (45 requested) and removed 41 (29 requested) atoms. Cycle 13: After refmac, R = 0.2335 (Rfree = 0.000) for 6446 atoms. Found 14 (44 requested) and removed 47 (29 requested) atoms. Cycle 14: After refmac, R = 0.2304 (Rfree = 0.000) for 6400 atoms. Found 16 (42 requested) and removed 30 (28 requested) atoms. Cycle 15: After refmac, R = 0.2465 (Rfree = 0.000) for 6378 atoms. Found 40 (41 requested) and removed 30 (28 requested) atoms. ------------------------------------------------------ Building Cycle 4 Atomic shape factors 2.99 2.87 Search for helices and strands: 0 residues in 0 chains, 6548 seeds are put forward NCS extension: 39 residues added (39 deleted due to clashes), 6587 seeds are put forward Round 1: 607 peptides, 75 chains. Longest chain 35 peptides. Score 0.628 Round 2: 652 peptides, 64 chains. Longest chain 62 peptides. Score 0.721 Round 3: 645 peptides, 62 chains. Longest chain 57 peptides. Score 0.723 Round 4: 669 peptides, 59 chains. Longest chain 81 peptides. Score 0.754 Round 5: 648 peptides, 62 chains. Longest chain 37 peptides. Score 0.725 Taking the results from Round 4 Chains 68, Residues 610, Estimated correctness of the model 75.8 % 12 chains (229 residues) have been docked in sequence Building loops using Loopy2018 68 chains (610 residues) following loop building 12 chains (229 residues) in sequence following loop building ------------------------------------------------------ 17516 reflections ( 99.52 % complete ) and 11677 restraints for refining 6529 atoms. 8417 conditional restraints added. Observations/parameters ratio is 0.67 ------------------------------------------------------ Cycle 16: After refmac, R = 0.2637 (Rfree = 0.000) for 6529 atoms. Found 41 (41 requested) and removed 79 (29 requested) atoms. Cycle 17: After refmac, R = 0.2351 (Rfree = 0.000) for 6474 atoms. Found 24 (39 requested) and removed 36 (29 requested) atoms. Cycle 18: After refmac, R = 0.2290 (Rfree = 0.000) for 6456 atoms. Found 17 (38 requested) and removed 31 (28 requested) atoms. Cycle 19: After refmac, R = 0.2240 (Rfree = 0.000) for 6436 atoms. Found 17 (36 requested) and removed 30 (28 requested) atoms. Cycle 20: After refmac, R = 0.2214 (Rfree = 0.000) for 6417 atoms. Found 17 (35 requested) and removed 28 (28 requested) atoms. ------------------------------------------------------ Building Cycle 5 Atomic shape factors 3.05 2.93 Search for helices and strands: 0 residues in 0 chains, 6583 seeds are put forward NCS extension: 69 residues added (55 deleted due to clashes), 6652 seeds are put forward Round 1: 578 peptides, 62 chains. Longest chain 53 peptides. Score 0.660 Round 2: 624 peptides, 61 chains. Longest chain 74 peptides. Score 0.709 Round 3: 603 peptides, 59 chains. Longest chain 35 peptides. Score 0.698 Round 4: 614 peptides, 57 chains. Longest chain 47 peptides. Score 0.717 Round 5: 577 peptides, 56 chains. Longest chain 29 peptides. Score 0.687 Taking the results from Round 4 Chains 62, Residues 557, Estimated correctness of the model 68.7 % 9 chains (213 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 188 A and 196 A 58 chains (559 residues) following loop building 7 chains (220 residues) in sequence following loop building ------------------------------------------------------ 17516 reflections ( 99.52 % complete ) and 11658 restraints for refining 6529 atoms. 8587 conditional restraints added. Observations/parameters ratio is 0.67 ------------------------------------------------------ Cycle 21: After refmac, R = 0.2587 (Rfree = 0.000) for 6529 atoms. Found 34 (35 requested) and removed 72 (29 requested) atoms. Cycle 22: After refmac, R = 0.2420 (Rfree = 0.000) for 6462 atoms. Found 14 (34 requested) and removed 49 (29 requested) atoms. Cycle 23: After refmac, R = 0.2351 (Rfree = 0.000) for 6407 atoms. Found 21 (32 requested) and removed 37 (28 requested) atoms. Cycle 24: After refmac, R = 0.2366 (Rfree = 0.000) for 6385 atoms. Found 22 (31 requested) and removed 37 (28 requested) atoms. Failed to save intermediate PDB Cycle 25: After refmac, R = 0.2239 (Rfree = 0.000) for 6364 atoms. Found 15 (30 requested) and removed 32 (28 requested) atoms. ------------------------------------------------------ Building Cycle 6 Atomic shape factors 3.05 2.93 Search for helices and strands: 0 residues in 0 chains, 6531 seeds are put forward NCS extension: 59 residues added (48 deleted due to clashes), 6590 seeds are put forward Round 1: 539 peptides, 65 chains. Longest chain 46 peptides. Score 0.603 Round 2: 595 peptides, 63 chains. Longest chain 33 peptides. Score 0.673 Round 3: 588 peptides, 60 chains. Longest chain 46 peptides. Score 0.680 Round 4: 599 peptides, 60 chains. Longest chain 47 peptides. Score 0.690 Round 5: 619 peptides, 57 chains. Longest chain 47 peptides. Score 0.721 Taking the results from Round 5 Chains 69, Residues 562, Estimated correctness of the model 69.5 % 13 chains (216 residues) have been docked in sequence Building loops using Loopy2018 69 chains (562 residues) following loop building 12 chains (216 residues) in sequence following loop building ------------------------------------------------------ 17516 reflections ( 99.52 % complete ) and 11564 restraints for refining 6529 atoms. 8535 conditional restraints added. Observations/parameters ratio is 0.67 ------------------------------------------------------ Cycle 26: After refmac, R = 0.2567 (Rfree = 0.000) for 6529 atoms. Found 29 (29 requested) and removed 60 (29 requested) atoms. Cycle 27: After refmac, R = 0.2437 (Rfree = 0.000) for 6463 atoms. Found 20 (29 requested) and removed 41 (29 requested) atoms. Cycle 28: After refmac, R = 0.2368 (Rfree = 0.000) for 6427 atoms. Found 26 (28 requested) and removed 36 (28 requested) atoms. Cycle 29: After refmac, R = 0.2317 (Rfree = 0.000) for 6410 atoms. Found 20 (28 requested) and removed 42 (28 requested) atoms. Cycle 30: After refmac, R = 0.2263 (Rfree = 0.000) for 6377 atoms. Found 22 (28 requested) and removed 35 (28 requested) atoms. ------------------------------------------------------ Building Cycle 7 Atomic shape factors 3.03 2.91 Search for helices and strands: 0 residues in 0 chains, 6523 seeds are put forward NCS extension: 31 residues added (19 deleted due to clashes), 6554 seeds are put forward Round 1: 522 peptides, 69 chains. Longest chain 41 peptides. Score 0.561 Round 2: 579 peptides, 67 chains. Longest chain 26 peptides. Score 0.637 Round 3: 566 peptides, 69 chains. Longest chain 28 peptides. Score 0.613 Round 4: 575 peptides, 66 chains. Longest chain 49 peptides. Score 0.638 Round 5: 574 peptides, 69 chains. Longest chain 30 peptides. Score 0.622 Taking the results from Round 4 Chains 72, Residues 509, Estimated correctness of the model 50.9 % 10 chains (154 residues) have been docked in sequence ------------------------------------------------------ 17516 reflections ( 99.52 % complete ) and 12667 restraints for refining 6528 atoms. 10119 conditional restraints added. Observations/parameters ratio is 0.67 ------------------------------------------------------ Cycle 31: After refmac, R = 0.2450 (Rfree = 0.000) for 6528 atoms. Found 29 (29 requested) and removed 48 (29 requested) atoms. Failed to save intermediate PDB Cycle 32: After refmac, R = 0.2318 (Rfree = 0.000) for 6479 atoms. Found 17 (29 requested) and removed 31 (29 requested) atoms. Cycle 33: After refmac, R = 0.2263 (Rfree = 0.000) for 6443 atoms. Found 13 (29 requested) and removed 30 (29 requested) atoms. Cycle 34: After refmac, R = 0.2211 (Rfree = 0.000) for 6419 atoms. Found 12 (28 requested) and removed 29 (28 requested) atoms. Cycle 35: After refmac, R = 0.2175 (Rfree = 0.000) for 6393 atoms. Found 11 (28 requested) and removed 28 (28 requested) atoms. ------------------------------------------------------ Building Cycle 8 Atomic shape factors 3.02 2.90 Search for helices and strands: 0 residues in 0 chains, 6520 seeds are put forward NCS extension: 50 residues added (16 deleted due to clashes), 6570 seeds are put forward Round 1: 526 peptides, 75 chains. Longest chain 38 peptides. Score 0.532 Round 2: 565 peptides, 63 chains. Longest chain 49 peptides. Score 0.642 Round 3: 555 peptides, 64 chains. Longest chain 33 peptides. Score 0.626 Round 4: 559 peptides, 68 chains. Longest chain 38 peptides. Score 0.610 Round 5: 559 peptides, 70 chains. Longest chain 26 peptides. Score 0.600 Taking the results from Round 2 Chains 65, Residues 502, Estimated correctness of the model 51.9 % 6 chains (133 residues) have been docked in sequence ------------------------------------------------------ 17516 reflections ( 99.52 % complete ) and 12934 restraints for refining 6529 atoms. 10434 conditional restraints added. Observations/parameters ratio is 0.67 ------------------------------------------------------ Cycle 36: After refmac, R = 0.2370 (Rfree = 0.000) for 6529 atoms. Found 29 (29 requested) and removed 42 (29 requested) atoms. Cycle 37: After refmac, R = 0.2289 (Rfree = 0.000) for 6500 atoms. Found 29 (29 requested) and removed 32 (29 requested) atoms. Cycle 38: After refmac, R = 0.2081 (Rfree = 0.000) for 6489 atoms. Found 11 (29 requested) and removed 31 (29 requested) atoms. Cycle 39: After refmac, R = 0.2105 (Rfree = 0.000) for 6458 atoms. Found 26 (29 requested) and removed 30 (29 requested) atoms. Cycle 40: After refmac, R = 0.2321 (Rfree = 0.000) for 6451 atoms. Found 28 (28 requested) and removed 31 (28 requested) atoms. ------------------------------------------------------ Building Cycle 9 Atomic shape factors 2.98 2.86 Search for helices and strands: 0 residues in 0 chains, 6610 seeds are put forward NCS extension: 32 residues added (20 deleted due to clashes), 6642 seeds are put forward Round 1: 468 peptides, 74 chains. Longest chain 36 peptides. Score 0.458 Round 2: 511 peptides, 63 chains. Longest chain 27 peptides. Score 0.580 Round 3: 513 peptides, 64 chains. Longest chain 29 peptides. Score 0.577 Round 4: 520 peptides, 64 chains. Longest chain 34 peptides. Score 0.586 Round 5: 539 peptides, 68 chains. Longest chain 28 peptides. Score 0.587 Taking the results from Round 5 Chains 71, Residues 471, Estimated correctness of the model 37.5 % 10 chains (134 residues) have been docked in sequence ------------------------------------------------------ 17516 reflections ( 99.52 % complete ) and 13048 restraints for refining 6528 atoms. 10674 conditional restraints added. Observations/parameters ratio is 0.67 ------------------------------------------------------ Cycle 41: After refmac, R = 0.2491 (Rfree = 0.000) for 6528 atoms. Found 29 (29 requested) and removed 52 (29 requested) atoms. Cycle 42: After refmac, R = 0.2451 (Rfree = 0.000) for 6485 atoms. Found 29 (29 requested) and removed 36 (29 requested) atoms. Cycle 43: After refmac, R = 0.2269 (Rfree = 0.000) for 6465 atoms. Found 27 (29 requested) and removed 31 (29 requested) atoms. Cycle 44: After refmac, R = 0.2240 (Rfree = 0.000) for 6455 atoms. Found 26 (28 requested) and removed 33 (28 requested) atoms. Cycle 45: After refmac, R = 0.2167 (Rfree = 0.000) for 6440 atoms. Found 12 (28 requested) and removed 29 (28 requested) atoms. ------------------------------------------------------ Building Cycle 10 Atomic shape factors 3.01 2.89 Search for helices and strands: 0 residues in 0 chains, 6582 seeds are put forward NCS extension: 49 residues added (1 deleted due to clashes), 6631 seeds are put forward Round 1: 469 peptides, 73 chains. Longest chain 27 peptides. Score 0.466 Round 2: 493 peptides, 64 chains. Longest chain 28 peptides. Score 0.552 Round 3: 507 peptides, 70 chains. Longest chain 25 peptides. Score 0.536 Round 4: 515 peptides, 60 chains. Longest chain 42 peptides. Score 0.602 Round 5: 492 peptides, 63 chains. Longest chain 32 peptides. Score 0.557 Taking the results from Round 4 Last building cycle: Chain fragments will be rearranged Chains 65, Residues 455, Estimated correctness of the model 41.6 % 11 chains (147 residues) have been docked in sequence Sequence coverage is 32 % Consider running further cycles of model building using 1vl4-3_warpNtrace.pdb as input Building loops using Loopy2018 65 chains (455 residues) following loop building 11 chains (147 residues) in sequence following loop building ------------------------------------------------------ ---> Final restrained refinement block. No atom update. 17516 reflections ( 99.52 % complete ) and 12835 restraints for refining 6528 atoms. 10476 conditional restraints added. Observations/parameters ratio is 0.67 ------------------------------------------------------ Cycle 46: After refmac, R = 0.2381 (Rfree = 0.000) for 6528 atoms. Found 0 (29 requested) and removed 29 (29 requested) atoms. Cycle 47: After refmac, R = 0.2291 (Rfree = 0.000) for 6476 atoms. Found 0 (29 requested) and removed 13 (29 requested) atoms. Cycle 48: After refmac, R = 0.2252 (Rfree = 0.000) for 6460 atoms. Found 0 (29 requested) and removed 10 (29 requested) atoms. Cycle 49: After refmac, R = 0.2196 (Rfree = 0.000) for 6445 atoms. TimeTaking 79.1