--- /dev/null
+ All files read
+ Option 0 selected (0 for protein, 1 for peptide)
+ Molecule 1 read
+ Molecule 2 read
+ Molecule 1 calculated
+ How many dummy atoms: 4
+
+ Molecule 2 calculated
+ Number of atoms: 1818 654
+ Min and max coordinates in the systems
+ 47.33 100.31 -4.32 44.63 -23.56 25.64
+ 79.41 105.90 -11.12 21.96 -22.74 12.22
+ Distances in axes x, y, z
+ 52.98 48.95 49.20
+ 26.48 33.08 34.95
+ Maximum distances:
+ 55.895991197938336 36.664730109466234
+ Boxsize (suggested)
+ 131.07286998252462
+ Center of masses:
+ 0.00 0.00 -0.00
+ -0.00 0.00 0.00
+ Center of masses atoms:
+ATOM 1034 N LEU 146 -0.199 0.658 0.096
+ATOM 2245 C MET 56 0.020 -0.761 1.198
+ Number of amino-acid residues in two proteins:
+ 227 83
+ Original number of the first residue in the first protein:
+ 18
+ Correction of the first residue in the first protein:
+ 18
+ Rotation space (+/-): 48.322865054733114 46.309365054733121 46.434365054733121
+ Conformation will be saved to file:model01.pdb
+ Initial minimum distance between centers of mass: 35.093571428571430
+ Rotation vector: 0.27582013607025146 0.51647990942001343 -2.44340728968381882E-002 0.81029301881790161
+ Conformation 1 Is accepted after 3 13 1 1 37 attempts. Dist between CoM of previous= 35.093571428571430
+ Extr 28.741080427229431 15.057071089682983 29.860535253662547
+ Conformation will be saved to file:model02.pdb
+ Rotation vector: -0.50247561931610107 -0.21677935123443604 0.47860273718833923 0.68663263320922852
+ Conformation 2 Is accepted after 3 9 1 8 26 attempts. Dist between CoM of previous= 35.073926339038458
+ Extr 29.228421638504376 7.5257311275355603 32.335703863633825
+ Conformation will be saved to file:model03.pdb
+ Rotation vector: -0.27311375737190247 0.44143393635749817 0.24418148398399353 -0.81909728050231934
+ Conformation 3 Is accepted after 3 16 1 32 88 attempts. Dist between CoM of previous= 35.006655197154025
+ Extr 28.850254075410071 13.941354642446230 13.208146946954704
+ Conformation will be saved to file:model04.pdb
+ Rotation vector: -0.20362454652786255 0.70320641994476318 -0.29330897331237793 -0.61482322216033936
+ Conformation 4 Is accepted after 3 16 1 55 112 attempts. Dist between CoM of previous= 34.942308095497623
+ Extr 22.721483261409521 31.699079597733128 23.607207351718397
+ Conformation will be saved to file:model05.pdb
+ Rotation vector: 0.58871388435363770 -0.59593409299850464 -0.26308164000511169 -0.47860908508300781
+ Conformation 5 Is accepted after 3 13 1 122 197 attempts. Dist between CoM of previous= 34.755535523620253
+ Extr 21.377596667310858 33.704127561337927 8.8923445789153508
+ Conformation will be saved to file:model06.pdb
+ Rotation vector: -0.59592682123184204 0.30039572715759277 -1.62891729269176722E-003 -0.74473547935485840
+ Conformation 6 Is accepted after 3 5 1 30 44 attempts. Dist between CoM of previous= 35.012256194197029
+ Extr 10.785195116509708 39.026933690005905 0.15950830738748853
+ Conformation will be saved to file:model07.pdb
+ Rotation vector: 4.77652624249458313E-002 -0.73325175046920776 -0.63765794038772583 -0.23119854927062988
+ Conformation 7 Is accepted after 3 2 1 29 33 attempts. Dist between CoM of previous= 35.015057028765327
+ Extr 3.9918199263010012 17.692870044834162 34.706142560509221
+ Conformation will be saved to file:model08.pdb
+ Rotation vector: -0.53885990381240845 -3.98319251835346222E-002 0.22083465754985809 -0.81195783615112305
+ Conformation 8 Is accepted after 3 2 1 208 243 attempts. Dist between CoM of previous= 34.517259992213198
+ Extr 12.207401936477087 8.9185770014600063 37.692760697457700
+ Conformation will be saved to file:model09.pdb
+ Rotation vector: 0.82562357187271118 -0.21495008468627930 -0.49591642618179321 -0.16189205646514893
+ Conformation 9 Is accepted after 3 12 1 939 1123 attempts. Dist between CoM of previous= 32.556755003816107
+ Extr 29.614308317711039 2.1923477083988394 15.311778994188325
+ Conformation will be saved to file:model10.pdb
+ Rotation vector: 0.12209502607584000 -0.63725531101226807 0.33940288424491882 -0.68103170394897461
+ Conformation 10 Is accepted after 3 1 1 591 676 attempts. Dist between CoM of previous= 33.475783950000881
+ Extr 1.4300872310433337 27.938267662386199 18.823308769564800
+ Conformation will be saved to file:model11.pdb
+ Rotation vector: -0.26334083080291748 -0.38217478990554810 -0.56098699569702148 -0.68548345565795898
+ Conformation 11 Is accepted after 3 4 1 1620 1829 attempts. Dist between CoM of previous= 30.830667458679066
+ Extr 2.5744519552398972 27.202936195557559 33.677154558119021
+ Conformation will be saved to file:model12.pdb
+ Rotation vector: 0.12877596914768219 -0.21595571935176849 -0.32060891389846802 -0.91323041915893555
+ Conformation 12 Is accepted after 3 3 1 1181 1308 attempts. Dist between CoM of previous= 31.932575268038477
+ Extr 32.016981136778099 13.484013801320492 11.962392380249740
+ Conformation will be saved to file:model13.pdb
+ Rotation vector: 0.57750266790390015 -0.66195297241210938 -0.32974463701248169 -0.34579968452453613
+ Conformation 13 Is accepted after 3 124 1 5057 6345 attempts. Dist between CoM of previous= 23.419645303253350
+ Extr 32.125970447857554 17.987775502476705 13.240363019587795
+ Conformation will be saved to file:model14.pdb
+ Rotation vector: 0.32669985294342041 -0.89390712976455688 -0.24323852360248566 0.18716901540756226
+ Conformation 14 Is accepted after 3 8 1 2515 2773 attempts. Dist between CoM of previous= 28.700555705045925
+ Extr 14.768904210358269 33.004127336158710 6.5384678217853551
+ Conformation will be saved to file:model15.pdb
+ Rotation vector: -0.25398382544517517 0.78312170505523682 -1.67773719877004623E-002 -0.56738972663879395
+ Conformation 15 Is accepted after 3 15 1 3409 3819 attempts. Dist between CoM of previous= 26.719752116984498
+ Extr 16.079725336930753 29.493217689403405 2.7173094830403688
+ Conformation will be saved to file:model16.pdb
+ Rotation vector: 7.88862556219100952E-002 -0.12659420073032379 0.83982247114181519 0.52196651697158813
+ Conformation 16 Is accepted after 3 40 1 4671 5469 attempts. Dist between CoM of previous= 24.154057277764931
+ Extr 12.870001646709813 12.632884189985864 39.225094389997807
+ Conformation will be saved to file:model17.pdb
+ Rotation vector: -0.44559115171432495 0.57372725009918213 0.54058861732482910 -0.42432236671447754
+ Conformation 17 Is accepted after 3 59 1 4979 5871 attempts. Dist between CoM of previous= 23.566227249717922
+ Extr 36.630339684021408 12.504433044564179 10.203616230789605
+ Conformation will be saved to file:model18.pdb
+ Rotation vector: 3.97411994636058807E-002 -0.24707750976085663 -0.87448221445083618 -0.41551685333251953
+ Conformation 18 Is accepted after 3 43 1 4972 5836 attempts. Dist between CoM of previous= 23.579426816820838
+ Extr 8.9248650912855290 5.5848535315765160 41.627859867659666
+ Conformation will be saved to file:model19.pdb
+ Rotation vector: -3.26173454523086548E-002 0.10635507106781006 0.10044019669294357 -0.98870444297790527
+ Conformation 19 Is accepted after 3 34 1 4591 5289 attempts. Dist between CoM of previous= 24.309124648852418
+ Extr 4.5924362862580317 33.451442937466481 23.057962061177843
+ Conformation will be saved to file:model20.pdb
+ Rotation vector: -0.68015962839126587 0.28470727801322937 0.41569629311561584 -0.53246712684631348
+ Conformation 20 Is accepted after 3 52 1 5570 6553 attempts. Dist between CoM of previous= 22.478043593689502
+ Extr 26.639637473646861 25.883071417665231 13.451394901557562
+ Conformation will be saved to file:model21.pdb
+ Rotation vector: 0.28570625185966492 0.48953846096992493 0.43462195992469788 0.69987696409225464
+ Conformation 21 Is accepted after 3 106 1 6113 7330 attempts. Dist between CoM of previous= 21.522588100994778
+ Extr 21.418957304390648 16.315371179001215 31.614085978283221
+ Conformation will be saved to file:model22.pdb
+ Rotation vector: 0.15259158611297607 0.84395492076873779 0.39162841439247131 0.33329147100448608
+ Conformation 22 Is accepted after 3 171 1 7208 8835 attempts. Dist between CoM of previous= 19.717588610175241
+ Extr 34.374860040255697 9.2357190593156222 4.4302081737405157
+ Conformation will be saved to file:model23.pdb
+ Rotation vector: 0.22016857564449310 -0.57734799385070801 0.58893442153930664 0.52091395854949951
+ Conformation 23 Is accepted after 3 112 1 6477 7728 attempts. Dist between CoM of previous= 20.904943763503056
+ Extr 4.3494799868877259 35.994740285574238 21.995695187882127
+ Conformation will be saved to file:model24.pdb
+ Rotation vector: 0.13214613497257233 0.13659040629863739 -9.58367064595222473E-002 -0.97708535194396973
+ Conformation 24 Is accepted after 3 103 1 6205 7277 attempts. Dist between CoM of previous= 21.364777841090650
+ Extr 4.5995332646539389 11.427183486673217 34.702577757970431
projects / unres.git / blobdiff