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[Info: 15:49:59.

733] Started Filelogger


[Info: 15:49:59.826] This software is licensed to: PP - The Hacker (National Def
unct Lab)
[Info: 15:49:59.826] The license will expire on: January 01 2099
[Info: 15:49:59.842] ElementTable with 104 elements loaded.
[Info: 15:49:59.842] getLigandPreparationTemplatePath returned: C:/Program Files
(x86)/Molegro/MVD/Misc/Data/PreparationTemplate.xml
[Debug: 15:49:59.842] Loaded template definitions.
[Info: 15:49:59.842] Reading Protein Preparation table.
[Info: 15:49:59.842] getRerankCoefficientsPath returned: C:/Program Files (x86)/
Molegro/MVD/Misc/Data/RerankingCoefficients.txt
[Info: 15:49:59.842] Loaded script from path: C:/Users/Farmasi Komunitas/Desktop
[Info: 15:49:59.842] Parsing script: C:/Users/Farmasi Komunitas/Desktop/script.m
vdscript
[Debug: 15:49:59.842] Parsing line 5 of 14: DOCKSETTINGS maxIterations=1500;runs
=10;ignoreSimilarPoses=true;IgnoreSimilarPosesThreshold=1;MaxPoses=5
[Debug: 15:49:59.857] MEMUSAGE !MEM-DELTA: 4 (WS: 4 PF: 0) for [DOCKSETTINGS max
Iterations=1500;runs=10;ignoreSimilarPoses=true;IgnoreSimilarPosesThreshold=1;Ma
xPoses=5]
[Debug: 15:49:59.857] Parsing line 6 of 14: EVALUATORTYPE MolDockGrid
[Debug: 15:49:59.857] Parsing line 7 of 14: EVALUATOR cropdistance=0;gridresolut
ion=0.30;ligandes=false;sp2sp2bond=false;internalhbond=false;hbond90=true;Displa
ceWater=false
[Debug: 15:49:59.857] Parsing line 8 of 14: OPTIMIZERTYPE MSE
[Debug: 15:49:59.857] MEMUSAGE !MEM-DELTA: 12 (WS: 8 PF: 4) for [OPTIMIZERTYPE M
SE]
[Debug: 15:49:59.857] Parsing line 9 of 14: OPTIMIZER populationsize=50;cavity=t
rue;creationEnergyThreshold=100;poseGenerator=10,10,30;recombine=true;maxsimplex
=750;simplexsteps=300;simplexdistancefactor=1;clusterthreshold=1.00;keepmaxposes
=5
[Debug: 15:49:59.857] Parsing line 10 of 14: LOAD "Unnamed_complex.mvdml"
[Debug: 15:49:59.857] Parsing line 11 of 14: RMSD ligand[0]
[Debug: 15:49:59.857] Parsing line 12 of 14: DOCK
[Debug: 15:49:59.857] Parsing line 13 of 14: NEW
[Info: 15:49:59.873] Script succesfully parsed.
[Debug: 15:49:59.873] Executing line 5 of 14: DOCKSETTINGS maxIterations=1500;ru
ns=10;ignoreSimilarPoses=true;IgnoreSimilarPosesThreshold=1;MaxPoses=5.
[Debug: 15:49:59.873] Executing line 6 of 14: EVALUATORTYPE MolDockGrid.
[Debug: 15:49:59.873] Executing line 7 of 14: EVALUATOR cropdistance=0;gridresol
ution=0.30;ligandes=false;sp2sp2bond=false;internalhbond=false;hbond90=true;Disp
laceWater=false.
[Debug: 15:49:59.873] Executing line 8 of 14: OPTIMIZERTYPE MSE.
[Debug: 15:49:59.873] Executing line 9 of 14: OPTIMIZER populationsize=50;cavity
=true;creationEnergyThreshold=100;poseGenerator=10,10,30;recombine=true;maxsimpl
ex=750;simplexsteps=300;simplexdistancefactor=1;clusterthreshold=1.00;keepmaxpos
es=5.
[Debug: 15:49:59.873] Executing line 10 of 14: LOAD "Unnamed_complex.mvdml".
[Info: 15:50:00.138] Loaded workspace C:/Users/Farmasi Komunitas/Desktop/Unnamed
_complex.mvdml in 0.265 seconds.
[Info: 15:50:00.138] Workspace C:/Users/Farmasi Komunitas/Desktop/Unnamed_comple
x.mvdml loaded.
[Debug: 15:50:00.138] Choose atom 10 as center of the torsion tree
[Debug: 15:50:00.138] Number of rotation angles found: 7
[Debug: 15:50:00.138] MEMUSAGE !MEM-DELTA: 7784 (WS: 3892 PF: 3892) for [LOAD "U
nnamed_complex.mvdml"]
[Debug: 15:50:00.138] Executing line 11 of 14: RMSD ligand[0].
[Debug: 15:50:00.138] ParseIntervalList returned: 0
[Debug: 15:50:00.138] Promoted Molecule -> Ligand
[Debug: 15:50:00.138] Choose atom 10 as center of the torsion tree
[Debug: 15:50:00.138] Number of rotation angles found: 7

[Debug: 15:50:00.138] Executing line 12 of 14: DOCK.


[Info: 15:50:00.138] Using MolegroGridEvaluator.
[Debug: 15:50:00.138] Created Evaluator
[Debug: 15:50:00.138] Created Evaluator
[Info: 15:50:00.154] Found grid in workspace.
[Debug: 15:50:00.154] cropdistance: 0
[Debug: 15:50:00.154] gridresolution: 0.3
[Debug: 15:50:00.154] calcLigandElectrostatics: false
[Debug: 15:50:00.154] useSp2Sp2Bond: false
[Debug: 15:50:00.154] Set internalHBond to: false
[Info: 15:50:00.154] Notice: MolegroGridEvaluator ignores hbond90 argument.
[Debug: 15:50:00.154] displaceWater: false
[Info: 15:50:00.154] Setting evaluator init string:cropdistance=0;gridresolution
=0.30;ligandes=false;sp2sp2bond=false;internalhbond=false;hbond90=true;DisplaceW
ater=false
[Info: 15:50:00.154] You are using MolDock SE optimizer
[Info: 15:50:00.154] Creating MolDock SE instance.
[Info: 15:50:00.154] With the following evaluator: MolegroGridEvaluator
[Debug: 15:50:00.154] MolDock SE. Setting max iterations to: 1500
[Debug: 15:50:00.154] MolDock SE: setting parameter populationsize to 50
[Debug: 15:50:00.154] MolDock SE: setting parameter cavity to true
[Debug: 15:50:00.154] MolDock SE: setting parameter creationenergythreshold to 1
00
[Debug: 15:50:00.154] MolDock SE: setting parameter posegenerator to 10,10,30
[Debug: 15:50:00.154] MolDock SE: setting parameter recombine to true
[Debug: 15:50:00.154] MolDock SE: setting parameter maxsimplex to 750
[Debug: 15:50:00.154] MolDock SE: setting parameter simplexsteps to 300
[Debug: 15:50:00.154] MolDock SE: setting parameter simplexdistancefactor to 1
[Debug: 15:50:00.154] MolDock SE: setting parameter clusterthreshold to 1.00
[Debug: 15:50:00.154] MolDock SE: setting parameter keepmaxposes to 5
[Info: 15:50:00.154] Setting optimizer init string:populationsize=50;cavity=true
;creationEnergyThreshold=100;poseGenerator=10,10,30;recombine=true;maxsimplex=75
0;simplexsteps=300;simplexdistancefactor=1;clusterthreshold=1.00;keepmaxposes=5
[Info: 15:50:00.154] The random seed used for this session is: 3057801475
[Info: 15:50:00.154] Optimizer: MolDock SE params: populationsize=50, randomizel
igand=1, cavity=1, recombine=1, creationenergythreshold=100, simplexdistancefact
or=1, simplexsteps=300, stepsize=[0.6,1.66667,0.05,0.5], mutatefactor=0.3, debug
=0, preoptimize=0, mutate2=0, mutate1=0, deoptimize=0, localoptimize=0, maxsimpl
ex=750, posegenerator=[10,10,30]
[Info: 15:50:00.169] Evaluator: Grid Resolution: 0.3. Torsion scheme: 1 Damp fac
tor: 1 Cropdistance: 0 Include ligand electrostatics: No
Use Sp2Sp2 bond
term: No
Skip torsion term: No Use EPenal: Yes Use EIntra: Yes Use EInt
er: Yes
Max iterations: 1500
Ignore structural waters: No
Ignore c
ofactors: No
Tabu Clustering: disabled, treshold: 2, penalty: 100, rmsd calc:
id.
SoftenPotential: false
[Info: 15:50:00.169] Creating Docking Results file: C:/Users/Farmasi Komunitas/D
esktop/DockingResults-2.mvdresults
[Debug: 15:50:00.169] Succesfully created output stream: C:/Users/Farmasi Komuni
tas/Desktop/DockingResults-2.mvdresults
[Debug: 15:50:00.169] Created Evaluator
[Debug: 15:50:00.169] Created Evaluator
[Debug: 15:50:00.169] cropdistance: 0
[Debug: 15:50:00.169] gridresolution: 0.3
[Debug: 15:50:00.169] calcLigandElectrostatics: false
[Debug: 15:50:00.169] useSp2Sp2Bond: false
[Debug: 15:50:00.169] Set internalHBond to: false
[Info: 15:50:00.169] Notice: MolegroGridEvaluator ignores hbond90 argument.
[Debug: 15:50:00.169] displaceWater: false
[Info: 15:50:00.169] Docking ligand: SAM_328 [A]
[Info: 15:50:00.201] Beginning run 1 out of 10.

[Info: 15:50:00.201] Source Ligand was randomized. This will destroy its origina
l orientation.
[Debug: 15:50:00.201] PoseGenerator: Min, Quick, Max: 10,10,30
[Info: 15:50:00.201] Reading bias file: C:/Program Files (x86)/Molegro/MVD/bin/.
./Misc/Data/sp2sp2a.csv
[Info: 15:50:00.201] Reading 626 values.
[Info: 15:50:00.201] Reading bias file: C:/Program Files (x86)/Molegro/MVD/bin/.
./Misc/Data/sp2sp3a.csv
[Info: 15:50:00.232] Reading 2378 values.
[Info: 15:50:00.232] Reading bias file: C:/Program Files (x86)/Molegro/MVD/bin/.
./Misc/Data/sp3sp3a.csv
[Info: 15:50:00.247] Reading 1868 values.
[Info: 15:50:00.247] We are docking from the current active ligand: SAM_328 [A]
[Debug: 15:50:00.247] Created MoleculeGrid from molecules @ 21162800
[Debug: 15:50:00.247] Registered energy-grid at 21162800
[Info: 15:50:00.247] Started creating grid: Radius: 20, Resolution: 0.3, Points
per side: 133, Total points: 2352637, Layers: 5, Mem: 89.75.
[Info: 15:50:07.361] Created grid with 2352637 points, 2606 atoms, 139490891 ent
ries written.
[Debug: 15:50:07.377] Testing energy grid on input (rotated) ligand. Energy:323.
621
[Info: 15:50:07.377] Cavity information found in workspace.
[Info: 15:50:07.377] No cavity grid found. Creating new.
[Debug: 15:50:07.377] Creating MoleculeGrid from project @ 49510184
[Debug: 15:50:07.377] MoleculeGrid from Project: spacing: 0.8, radius: 41.8766,
indices: 1157625, layers: 1 (105,105,105)
[Debug: 15:50:07.377] Adding cavities (2) to molecule grid
[Info: 15:50:07.377] After restricting cavities to search space region, 424 cavi
ty points are presents, 121 cavity points were discarded
[Info: 15:50:07.392] Started Measuring: Ligand SAM_328 [A]: run 1 out of 10.
[Info: 15:50:07.455] Found 2 automorphism(s) for SAM_328 [A]
[Info: 15:50:07.564] Turning off construction of new poses. (iteration: 6)
[Info: 15:50:08.250] Iteration: 10. Lowest Energy: -139.627. RMSD: 12.3084
[Info: 15:50:08.469] Iteration: 20. Lowest Energy: -140.345. RMSD: 12.2549
[Info: 15:50:08.671] Iteration: 30. Lowest Energy: -145.594. RMSD: 11.802
[Info: 15:50:09.280] Iteration: 60. Lowest Energy: -146.374. RMSD: 11.8133
[Info: 15:50:09.498] Iteration: 70. Lowest Energy: -146.928. RMSD: 11.8098
[Info: 15:50:09.701] Iteration: 80. Lowest Energy: -147.075. RMSD: 11.771
[Info: 15:50:10.107] Iteration: 100. Lowest Energy: -147.916. RMSD: 12.3999
[Info: 15:50:10.528] Iteration: 120. Lowest Energy: -148.249. RMSD: 11.7442
[Info: 15:50:10.731] Iteration: 130. Lowest Energy: -148.318. RMSD: 11.748
[Info: 15:50:10.933] Iteration: 140. Lowest Energy: -149.118. RMSD: 12.4183
[Info: 15:50:11.136] Iteration: 150. Lowest Energy: -149.317. RMSD: 12.4109
[Info: 15:50:11.323] Iteration: 160. Lowest Energy: -149.485. RMSD: 12.4206
[Info: 15:50:11.511] Iteration: 170. Lowest Energy: -149.5. RMSD: 12.4122
[Info: 15:50:11.713] Iteration: 180. Lowest Energy: -149.503. RMSD: 12.4124
[Info: 15:50:11.901] Iteration: 190. Lowest Energy: -149.512. RMSD: 12.4151
[Info: 15:50:12.088] Iteration: 200. Lowest Energy: -149.517. RMSD: 12.4166
[Info: 15:50:12.244] Iteration: 210. Lowest Energy: -149.52. RMSD: 12.416
[Info: 15:50:12.431] Iteration: 220. Lowest Energy: -149.522. RMSD: 12.4156
[Info: 15:50:12.603] Iteration: 230. Lowest Energy: -149.812. RMSD: 11.7177
[Info: 15:50:12.915] Iteration: 250. Lowest Energy: -150.014. RMSD: 11.7213
[Info: 15:50:13.180] Iteration: 260. Lowest Energy: -150.023. RMSD: 11.7201
[Info: 15:50:13.367] Iteration: 270. Lowest Energy: -150.03. RMSD: 11.7227
[Info: 15:50:13.710] Iteration: 290. Lowest Energy: -150.077. RMSD: 11.7313
[Info: 15:50:13.897] Iteration: 300. Lowest Energy: -150.168. RMSD: 11.7371
[Info: 15:50:14.303] Iteration: 330. Lowest Energy: -150.196. RMSD: 11.7437
[Info: 15:50:14.475] Iteration: 340. Lowest Energy: -150.275. RMSD: 11.7483
[Info: 15:50:14.865] Iteration: 370. Lowest Energy: -150.281. RMSD: 11.753
[Info: 15:50:15.364] Iteration: 410. Lowest Energy: -150.302. RMSD: 11.7527

[Info: 15:50:15.520] Iteration: 420. Lowest Energy: -150.397. RMSD: 11.7898


[Info: 15:50:16.019] Iteration: 460. Lowest Energy: -150.405. RMSD: 11.7903
[Info: 15:50:16.206] Iteration: 480. Lowest Energy: -150.447. RMSD: 11.8007
[Info: 15:50:16.347] Iteration: 490. Lowest Energy: -150.456. RMSD: 11.7945
[Info: 15:50:16.596] Iteration: 510. Lowest Energy: -150.456. RMSD: 11.8002
[Info: 15:50:16.690] Iteration: 520. Lowest Energy: -150.459. RMSD: 11.8036
[Info: 15:50:16.924] Iteration: 540. Lowest Energy: -150.462. RMSD: 11.8009
[Info: 15:50:17.361] Iteration: 580. Lowest Energy: -150.462. RMSD: 11.8007
[Info: 15:50:18.250] Docking run finished due to max iterations.
[Info: 15:50:18.250] Time = 10.858 s for 'Ligand SAM_328 [A]: run 1 out of 10.'.
[Debug: 15:50:18.250] MolDock SE::getBestSolutions
[Debug: 15:50:18.250] performClustering:50
[Info: 15:50:18.250] Pose: 0
Name: SAM_328 [A]
Energy: -150.462
RMSD: 11.8007
[Info: 15:50:18.250] Pose: 1
Name: SAM_328 [A]
Energy: -149.524
RMSD: 12.4158
[Info: 15:50:18.250] Pose: 2
Name: SAM_328 [A]
Energy: -141.409
RMSD: 10.2959
[Info: 15:50:18.250] Beginning run 2 out of 10.
[Info: 15:50:18.265] Source Ligand was randomized. This will destroy its origina
l orientation.
[Info: 15:50:18.265] Deleting PoseGenerator
[Debug: 15:50:18.265] PoseGenerator: Min, Quick, Max: 10,10,30
[Info: 15:50:18.265] Reading bias file: C:/Program Files (x86)/Molegro/MVD/bin/.
./Misc/Data/sp2sp2a.csv
[Info: 15:50:18.265] Reading 626 values.
[Info: 15:50:18.265] Reading bias file: C:/Program Files (x86)/Molegro/MVD/bin/.
./Misc/Data/sp2sp3a.csv
[Info: 15:50:18.297] Reading 2378 values.
[Info: 15:50:18.297] Reading bias file: C:/Program Files (x86)/Molegro/MVD/bin/.
./Misc/Data/sp3sp3a.csv
[Info: 15:50:18.312] Reading 1868 values.
[Info: 15:50:18.312] We are docking from the current active ligand: SAM_328 [A]
[Debug: 15:50:18.312] Testing energy grid on input (rotated) ligand. Energy:25.9
443
[Info: 15:50:18.312] Cavity information found in workspace.
[Info: 15:50:18.312] Shared cavity grid found. Reusing it.
[Info: 15:50:18.328] Started Measuring: Ligand SAM_328 [A]: run 2 out of 10.
[Info: 15:50:18.453] Turning off construction of new poses. (iteration: 5)
[Info: 15:50:18.609] Iteration: 10. Lowest Energy: -107.112. RMSD: 10.327
[Info: 15:50:18.827] Iteration: 20. Lowest Energy: -127.802. RMSD: 8.75689
[Info: 15:50:19.030] Iteration: 30. Lowest Energy: -133.634. RMSD: 13.0388
[Info: 15:50:19.248] Iteration: 40. Lowest Energy: -135.568. RMSD: 12.9886
[Info: 15:50:20.247] Iteration: 90. Lowest Energy: -135.898. RMSD: 12.9981
[Info: 15:50:20.683] Iteration: 110. Lowest Energy: -136.817. RMSD: 13.0479
[Info: 15:50:20.917] Iteration: 120. Lowest Energy: -136.861. RMSD: 13.0446
[Info: 15:50:21.401] Iteration: 140. Lowest Energy: -137.139. RMSD: 13.039
[Info: 15:50:21.994] Iteration: 170. Lowest Energy: -137.197. RMSD: 13.0407
[Info: 15:50:22.197] Iteration: 180. Lowest Energy: -137.408. RMSD: 13.0563
[Info: 15:50:22.555] Iteration: 200. Lowest Energy: -137.431. RMSD: 13.0525
[Info: 15:50:22.743] Iteration: 210. Lowest Energy: -137.468. RMSD: 13.0536
[Info: 15:50:23.538] Iteration: 260. Lowest Energy: -138.278. RMSD: 13.0875
[Info: 15:50:23.944] Iteration: 290. Lowest Energy: -138.331. RMSD: 13.0851
[Info: 15:50:24.100] Iteration: 300. Lowest Energy: -140.584. RMSD: 13.2229
[Info: 15:50:24.396] Iteration: 330. Lowest Energy: -140.965. RMSD: 13.2488
[Info: 15:50:24.568] Iteration: 340. Lowest Energy: -142.401. RMSD: 13.2582
[Info: 15:50:24.911] Iteration: 370. Lowest Energy: -142.727. RMSD: 13.2818
[Info: 15:50:25.161] Iteration: 390. Lowest Energy: -142.771. RMSD: 13.2765
[Info: 15:50:25.410] Iteration: 410. Lowest Energy: -143.033. RMSD: 13.2956
[Info: 15:50:25.519] Iteration: 420. Lowest Energy: -143.247. RMSD: 13.2898

[Info: 15:50:25.644] Iteration: 430. Lowest Energy: -143.312. RMSD: 13.2923


[Info: 15:50:25.800] Iteration: 440. Lowest Energy: -143.41. RMSD: 13.2944
[Info: 15:50:26.175] Iteration: 470. Lowest Energy: -143.424. RMSD: 13.2949
[Info: 15:50:26.331] Iteration: 480. Lowest Energy: -143.488. RMSD: 13.3092
[Info: 15:50:26.455] Iteration: 490. Lowest Energy: -143.515. RMSD: 13.3127
[Info: 15:50:26.596] Iteration: 500. Lowest Energy: -143.542. RMSD: 13.3191
[Info: 15:50:26.986] Iteration: 530. Lowest Energy: -143.55. RMSD: 13.3124
[Info: 15:50:27.142] Iteration: 540. Lowest Energy: -143.588. RMSD: 13.3289
[Info: 15:50:27.251] Iteration: 550. Lowest Energy: -143.592. RMSD: 13.3336
[Info: 15:50:27.407] Iteration: 560. Lowest Energy: -143.696. RMSD: 13.3332
[Info: 15:50:27.641] Iteration: 580. Lowest Energy: -143.725. RMSD: 13.3371
[Info: 15:50:27.906] Iteration: 600. Lowest Energy: -143.822. RMSD: 13.3424
[Info: 15:50:28.047] Iteration: 610. Lowest Energy: -143.839. RMSD: 13.344
[Info: 15:50:28.203] Iteration: 620. Lowest Energy: -143.853. RMSD: 13.3433
[Info: 15:50:28.343] Iteration: 630. Lowest Energy: -143.855. RMSD: 13.3429
[Info: 15:50:28.858] Iteration: 670. Lowest Energy: -143.855. RMSD: 13.3412
[Info: 15:50:29.388] Iteration: 710. Lowest Energy: -143.856. RMSD: 13.3429
[Info: 15:50:29.653] Iteration: 730. Lowest Energy: -143.856. RMSD: 13.3428
[Info: 15:50:29.919] Iteration: 750. Lowest Energy: -143.856. RMSD: 13.3428
[Info: 15:50:29.981] Docking run finished due to max iterations.
[Info: 15:50:29.981] Time = 11.653 s for 'Ligand SAM_328 [A]: run 2 out of 10.'.
[Debug: 15:50:29.981] MolDock SE::getBestSolutions
[Debug: 15:50:29.981] performClustering:50
[Info: 15:50:29.981] Pose: 0
Name: SAM_328 [A]
Energy: -143.856
RMSD: 13.3428
[Info: 15:50:29.981] Pose: 1
Name: SAM_328 [A]
Energy: -134.057
RMSD: 12.1523
[Info: 15:50:29.981] Pose: 2
Name: SAM_328 [A]
Energy: -128.427
RMSD: 8.7867
[Info: 15:50:29.997] Beginning run 3 out of 10.
[Info: 15:50:29.997] Source Ligand was randomized. This will destroy its origina
l orientation.
[Info: 15:50:29.997] Deleting PoseGenerator
[Debug: 15:50:29.997] PoseGenerator: Min, Quick, Max: 10,10,30
[Info: 15:50:29.997] Reading bias file: C:/Program Files (x86)/Molegro/MVD/bin/.
./Misc/Data/sp2sp2a.csv
[Info: 15:50:30.012] Reading 626 values.
[Info: 15:50:30.012] Reading bias file: C:/Program Files (x86)/Molegro/MVD/bin/.
./Misc/Data/sp2sp3a.csv
[Info: 15:50:30.028] Reading 2378 values.
[Info: 15:50:30.028] Reading bias file: C:/Program Files (x86)/Molegro/MVD/bin/.
./Misc/Data/sp3sp3a.csv
[Info: 15:50:30.043] Reading 1868 values.
[Info: 15:50:30.043] We are docking from the current active ligand: SAM_328 [A]
[Debug: 15:50:30.059] Testing energy grid on input (rotated) ligand. Energy:85.9
46
[Info: 15:50:30.059] Cavity information found in workspace.
[Info: 15:50:30.059] Shared cavity grid found. Reusing it.
[Info: 15:50:30.059] Started Measuring: Ligand SAM_328 [A]: run 3 out of 10.
[Info: 15:50:30.184] Turning off construction of new poses. (iteration: 5)
[Info: 15:50:30.699] Iteration: 10. Lowest Energy: -144.153. RMSD: 9.53872
[Info: 15:50:30.933] Iteration: 20. Lowest Energy: -145.833. RMSD: 9.5215
[Info: 15:50:31.588] Iteration: 50. Lowest Energy: -147.597. RMSD: 9.52547
[Info: 15:50:31.806] Iteration: 60. Lowest Energy: -148.405. RMSD: 9.51865
[Info: 15:50:32.009] Iteration: 70. Lowest Energy: -149.192. RMSD: 12.5265
[Info: 15:50:32.430] Iteration: 90. Lowest Energy: -150.286. RMSD: 12.4995
[Info: 15:50:32.664] Iteration: 100. Lowest Energy: -150.52. RMSD: 12.5072
[Info: 15:50:32.883] Iteration: 110. Lowest Energy: -150.582. RMSD: 12.5238
[Info: 15:50:33.117] Iteration: 120. Lowest Energy: -151.247. RMSD: 12.5582
[Info: 15:50:33.351] Iteration: 130. Lowest Energy: -151.849. RMSD: 12.5414

[Info: 15:50:33.928] Iteration: 160. Lowest Energy: -151.857. RMSD: 12.5443


[Info: 15:50:34.302] Iteration: 180. Lowest Energy: -151.902. RMSD: 12.5387
[Info: 15:50:34.505] Iteration: 190. Lowest Energy: -151.946. RMSD: 12.5371
[Info: 15:50:34.692] Iteration: 200. Lowest Energy: -151.975. RMSD: 12.5419
[Info: 15:50:34.895] Iteration: 210. Lowest Energy: -151.994. RMSD: 12.5351
[Info: 15:50:35.425] Iteration: 240. Lowest Energy: -152. RMSD: 12.5376
[Info: 15:50:35.940] Iteration: 270. Lowest Energy: -152.001. RMSD: 12.5381
[Info: 15:50:36.439] Iteration: 300. Lowest Energy: -152.005. RMSD: 12.5378
[Info: 15:50:36.954] Iteration: 330. Lowest Energy: -152.008. RMSD: 12.5379
[Info: 15:50:38.015] Iteration: 400. Lowest Energy: -152.008. RMSD: 12.5379
[Info: 15:50:38.296] Iteration: 420. Lowest Energy: -152.01. RMSD: 12.5389
[Info: 15:50:38.436] Iteration: 430. Lowest Energy: -152.01. RMSD: 12.5388
[Info: 15:50:38.951] Iteration: 470. Lowest Energy: -152.014. RMSD: 12.5386
[Info: 15:50:39.201] Iteration: 490. Lowest Energy: -152.014. RMSD: 12.5386
[Info: 15:50:39.435] Iteration: 510. Lowest Energy: -152.015. RMSD: 12.5384
[Info: 15:50:39.762] Iteration: 540. Lowest Energy: -152.018. RMSD: 12.5357
[Info: 15:50:39.887] Iteration: 550. Lowest Energy: -152.018. RMSD: 12.5366
[Info: 15:50:40.012] Iteration: 560. Lowest Energy: -152.023. RMSD: 12.5331
[Info: 15:50:40.230] Iteration: 580. Lowest Energy: -152.023. RMSD: 12.5352
[Info: 15:50:40.355] Iteration: 590. Lowest Energy: -152.024. RMSD: 12.534
[Info: 15:50:40.527] Iteration: 610. Lowest Energy: -152.025. RMSD: 12.5342
[Info: 15:50:40.698] Iteration: 630. Lowest Energy: -152.053. RMSD: 12.5268
[Info: 15:50:40.854] Iteration: 650. Lowest Energy: -152.055. RMSD: 12.5275
[Info: 15:50:40.979] Iteration: 660. Lowest Energy: -152.055. RMSD: 12.5272
[Info: 15:50:41.057] Iteration: 670. Lowest Energy: -152.056. RMSD: 12.5275
[Info: 15:50:41.400] Iteration: 710. Lowest Energy: -152.057. RMSD: 12.5276
[Info: 15:50:41.463] Iteration: 720. Lowest Energy: -152.057. RMSD: 12.5277
[Info: 15:50:41.572] Docking run finished due to max iterations.
[Info: 15:50:41.572] Time = 11.513 s for 'Ligand SAM_328 [A]: run 3 out of 10.'.
[Debug: 15:50:41.572] MolDock SE::getBestSolutions
[Debug: 15:50:41.572] performClustering:50
[Info: 15:50:41.572] Pose: 0
Name: SAM_328 [A]
Energy: -152.057
RMSD: 12.5277
[Info: 15:50:41.572] Pose: 1
Name: SAM_328 [A]
Energy: -148.866
RMSD: 9.53
[Info: 15:50:41.587] Beginning run 4 out of 10.
[Info: 15:50:41.587] Source Ligand was randomized. This will destroy its origina
l orientation.
[Info: 15:50:41.587] Deleting PoseGenerator
[Debug: 15:50:41.587] PoseGenerator: Min, Quick, Max: 10,10,30
[Info: 15:50:41.587] Reading bias file: C:/Program Files (x86)/Molegro/MVD/bin/.
./Misc/Data/sp2sp2a.csv
[Info: 15:50:41.603] Reading 626 values.
[Info: 15:50:41.603] Reading bias file: C:/Program Files (x86)/Molegro/MVD/bin/.
./Misc/Data/sp2sp3a.csv
[Info: 15:50:41.619] Reading 2378 values.
[Info: 15:50:41.619] Reading bias file: C:/Program Files (x86)/Molegro/MVD/bin/.
./Misc/Data/sp3sp3a.csv
[Info: 15:50:41.634] Reading 1868 values.
[Info: 15:50:41.634] We are docking from the current active ligand: SAM_328 [A]
[Debug: 15:50:41.650] Testing energy grid on input (rotated) ligand. Energy:669.
014
[Info: 15:50:41.650] Cavity information found in workspace.
[Info: 15:50:41.650] Shared cavity grid found. Reusing it.
[Info: 15:50:41.650] Started Measuring: Ligand SAM_328 [A]: run 4 out of 10.
[Info: 15:50:41.790] Turning off construction of new poses. (iteration: 6)
[Info: 15:50:42.024] Iteration: 10. Lowest Energy: -148.725. RMSD: 8.08344
[Info: 15:50:42.227] Iteration: 20. Lowest Energy: -153.647. RMSD: 11.0528
[Info: 15:50:43.038] Iteration: 60. Lowest Energy: -154.594. RMSD: 11.0089
[Info: 15:50:43.241] Iteration: 70. Lowest Energy: -157.452. RMSD: 10.9778

[Info: 15:50:43.444] Iteration: 80. Lowest Energy: -160.446. RMSD: 11.9225


[Info: 15:50:44.037] Iteration: 110. Lowest Energy: -160.926. RMSD: 11.9112
[Info: 15:50:44.239] Iteration: 120. Lowest Energy: -161.565. RMSD: 11.9165
[Info: 15:50:44.442] Iteration: 130. Lowest Energy: -165.07. RMSD: 11.0184
[Info: 15:50:44.645] Iteration: 140. Lowest Energy: -166.799. RMSD: 11.0132
[Info: 15:50:44.848] Iteration: 150. Lowest Energy: -166.93. RMSD: 11.0233
[Info: 15:50:45.238] Iteration: 170. Lowest Energy: -167.057. RMSD: 11.0186
[Info: 15:50:45.643] Iteration: 190. Lowest Energy: -167.09. RMSD: 11.0207
[Info: 15:50:46.018] Iteration: 210. Lowest Energy: -167.116. RMSD: 11.0236
[Info: 15:50:46.221] Iteration: 220. Lowest Energy: -167.135. RMSD: 11.0257
[Info: 15:50:46.564] Iteration: 240. Lowest Energy: -167.143. RMSD: 11.0257
[Info: 15:50:47.032] Iteration: 270. Lowest Energy: -167.146. RMSD: 11.0271
[Info: 15:50:47.203] Iteration: 280. Lowest Energy: -167.173. RMSD: 11.035
[Info: 15:50:47.843] Iteration: 330. Lowest Energy: -167.189. RMSD: 11.0414
[Info: 15:50:48.061] Iteration: 350. Lowest Energy: -167.23. RMSD: 11.046
[Info: 15:50:48.202] Iteration: 360. Lowest Energy: -167.244. RMSD: 11.0511
[Info: 15:50:48.327] Iteration: 370. Lowest Energy: -167.273. RMSD: 11.0535
[Info: 15:50:48.451] Iteration: 380. Lowest Energy: -167.286. RMSD: 11.0545
[Info: 15:50:48.576] Iteration: 390. Lowest Energy: -167.295. RMSD: 11.0598
[Info: 15:50:48.701] Iteration: 400. Lowest Energy: -167.295. RMSD: 11.0585
[Info: 15:50:48.810] Iteration: 410. Lowest Energy: -167.297. RMSD: 11.0565
[Info: 15:50:48.904] Iteration: 420. Lowest Energy: -167.299. RMSD: 11.0587
[Info: 15:50:48.997] Iteration: 430. Lowest Energy: -167.3. RMSD: 11.0597
[Info: 15:50:49.075] Iteration: 440. Lowest Energy: -167.3. RMSD: 11.0585
[Info: 15:50:49.153] Iteration: 450. Lowest Energy: -167.301. RMSD: 11.0587
[Info: 15:50:49.247] Iteration: 460. Lowest Energy: -167.301. RMSD: 11.0587
[Info: 15:50:49.450] Iteration: 490. Lowest Energy: -167.301. RMSD: 11.0587
[Info: 15:50:49.528] Iteration: 500. Lowest Energy: -167.301. RMSD: 11.0588
[Info: 15:50:49.668] Iteration: 520. Lowest Energy: -167.301. RMSD: 11.0587
[Info: 15:50:49.746] Iteration: 530. Lowest Energy: -167.301. RMSD: 11.0588
[Info: 15:50:49.855] Iteration: 550. Lowest Energy: -167.301. RMSD: 11.0587
[Info: 15:50:50.074] Iteration: 590. Lowest Energy: -167.301. RMSD: 11.0588
[Info: 15:50:50.167] Iteration: 610. Lowest Energy: -167.301. RMSD: 11.0587
[Info: 15:50:50.323] Iteration: 640. Lowest Energy: -167.301. RMSD: 11.0587
[Info: 15:50:50.386] Iteration: 660. Lowest Energy: -167.301. RMSD: 11.0586
[Info: 15:50:50.417] Iteration: 670. Lowest Energy: -167.301. RMSD: 11.0586
[Info: 15:50:50.495] Iteration: 680. Lowest Energy: -167.302. RMSD: 11.0587
[Info: 15:50:50.604] Iteration: 710. Lowest Energy: -167.302. RMSD: 11.0587
[Info: 15:50:50.651] Iteration: 720. Lowest Energy: -167.302. RMSD: 11.0586
[Info: 15:50:50.682] Iteration: 730. Lowest Energy: -167.302. RMSD: 11.0587
[Info: 15:50:50.823] Docking run finished due to max iterations.
[Info: 15:50:50.823] Time = 9.173 s for 'Ligand SAM_328 [A]: run 4 out of 10.'.
[Debug: 15:50:50.823] MolDock SE::getBestSolutions
[Debug: 15:50:50.823] performClustering:50
[Info: 15:50:50.823] Pose: 0
Name: SAM_328 [A]
Energy: -167.302
RMSD: 11.0587
[Info: 15:50:50.823] Pose: 1
Name: SAM_328 [A]
Energy: -162.006
RMSD: 11.9248
[Info: 15:50:50.838] Beginning run 5 out of 10.
[Info: 15:50:50.838] Source Ligand was randomized. This will destroy its origina
l orientation.
[Info: 15:50:50.838] Deleting PoseGenerator
[Debug: 15:50:50.838] PoseGenerator: Min, Quick, Max: 10,10,30
[Info: 15:50:50.838] Reading bias file: C:/Program Files (x86)/Molegro/MVD/bin/.
./Misc/Data/sp2sp2a.csv
[Info: 15:50:50.854] Reading 626 values.
[Info: 15:50:50.854] Reading bias file: C:/Program Files (x86)/Molegro/MVD/bin/.
./Misc/Data/sp2sp3a.csv
[Info: 15:50:50.869] Reading 2378 values.
[Info: 15:50:50.869] Reading bias file: C:/Program Files (x86)/Molegro/MVD/bin/.

./Misc/Data/sp3sp3a.csv
[Info: 15:50:50.901] Reading 1868 values.
[Info: 15:50:50.901] We are docking from the current active ligand: SAM_328 [A]
[Debug: 15:50:50.901] Testing energy grid on input (rotated) ligand. Energy:229.
519
[Info: 15:50:50.901] Cavity information found in workspace.
[Info: 15:50:50.901] Shared cavity grid found. Reusing it.
[Info: 15:50:50.901] Started Measuring: Ligand SAM_328 [A]: run 5 out of 10.
[Info: 15:50:51.057] Turning off construction of new poses. (iteration: 6)
[Info: 15:50:51.556] Iteration: 10. Lowest Energy: -147.933. RMSD: 9.96334
[Info: 15:50:52.554] Iteration: 60. Lowest Energy: -148.621. RMSD: 9.93712
[Info: 15:50:52.944] Iteration: 80. Lowest Energy: -149.666. RMSD: 11.4861
[Info: 15:50:53.537] Iteration: 110. Lowest Energy: -154.078. RMSD: 11.4082
[Info: 15:50:53.724] Iteration: 120. Lowest Energy: -154.706. RMSD: 11.4418
[Info: 15:50:54.317] Iteration: 150. Lowest Energy: -155.361. RMSD: 11.45
[Info: 15:50:54.723] Iteration: 170. Lowest Energy: -155.467. RMSD: 11.4539
[Info: 15:50:55.503] Iteration: 210. Lowest Energy: -156.754. RMSD: 11.5025
[Info: 15:50:55.705] Iteration: 220. Lowest Energy: -157.244. RMSD: 11.6079
[Info: 15:50:55.908] Iteration: 230. Lowest Energy: -157.357. RMSD: 11.5193
[Info: 15:50:56.095] Iteration: 240. Lowest Energy: -157.387. RMSD: 11.5192
[Info: 15:50:56.517] Iteration: 260. Lowest Energy: -157.465. RMSD: 11.5555
[Info: 15:50:56.719] Iteration: 270. Lowest Energy: -157.497. RMSD: 11.5459
[Info: 15:50:56.907] Iteration: 280. Lowest Energy: -157.502. RMSD: 11.5993
[Info: 15:50:57.094] Iteration: 290. Lowest Energy: -157.51. RMSD: 11.5556
[Info: 15:50:57.437] Iteration: 310. Lowest Energy: -157.518. RMSD: 11.5474
[Info: 15:50:57.609] Iteration: 320. Lowest Energy: -157.527. RMSD: 11.6025
[Info: 15:50:57.765] Iteration: 330. Lowest Energy: -157.544. RMSD: 11.6034
[Info: 15:50:57.905] Iteration: 340. Lowest Energy: -157.567. RMSD: 11.5347
[Info: 15:50:58.077] Iteration: 350. Lowest Energy: -157.628. RMSD: 11.5309
[Info: 15:50:58.248] Iteration: 360. Lowest Energy: -158.266. RMSD: 11.5592
[Info: 15:50:58.435] Iteration: 370. Lowest Energy: -158.298. RMSD: 11.5588
[Info: 15:50:58.763] Iteration: 390. Lowest Energy: -158.513. RMSD: 11.5889
[Info: 15:50:58.888] Iteration: 400. Lowest Energy: -158.531. RMSD: 11.5886
[Info: 15:50:59.013] Iteration: 410. Lowest Energy: -158.555. RMSD: 11.5842
[Info: 15:50:59.137] Iteration: 420. Lowest Energy: -158.597. RMSD: 11.5824
[Info: 15:50:59.262] Iteration: 430. Lowest Energy: -158.606. RMSD: 11.5884
[Info: 15:50:59.512] Iteration: 450. Lowest Energy: -158.614. RMSD: 11.5887
[Info: 15:50:59.590] Iteration: 460. Lowest Energy: -158.616. RMSD: 11.5864
[Info: 15:50:59.683] Iteration: 470. Lowest Energy: -158.623. RMSD: 11.5864
[Info: 15:50:59.746] Iteration: 480. Lowest Energy: -158.63. RMSD: 11.5884
[Info: 15:50:59.980] Iteration: 510. Lowest Energy: -158.63. RMSD: 11.5871
[Info: 15:51:00.042] Iteration: 520. Lowest Energy: -158.637. RMSD: 11.5905
[Info: 15:51:00.120] Iteration: 530. Lowest Energy: -158.642. RMSD: 11.5907
[Debug: 15:51:00.183] Evaluations #/s: 2370.3 [Accumulated: 142251] [Info: 15:51:00.183] Iteration: 540. Lowest Energy: -158.643. RMSD: 11.59
[Info: 15:51:00.261] Iteration: 550. Lowest Energy: -158.644. RMSD: 11.5901
[Info: 15:51:00.323] Iteration: 560. Lowest Energy: -158.644. RMSD: 11.5903
[Info: 15:51:00.401] Iteration: 580. Lowest Energy: -158.646. RMSD: 11.5904
[Info: 15:51:00.573] Iteration: 640. Lowest Energy: -158.646. RMSD: 11.5903
[Info: 15:51:00.682] Iteration: 680. Lowest Energy: -158.646. RMSD: 11.59
[Info: 15:51:00.760] Iteration: 700. Lowest Energy: -158.647. RMSD: 11.59
[Info: 15:51:00.853] Docking run finished due to max iterations.
[Info: 15:51:00.853] Time = 9.952 s for 'Ligand SAM_328 [A]: run 5 out of 10.'.
[Debug: 15:51:00.869] MolDock SE::getBestSolutions
[Debug: 15:51:00.869] performClustering:50
[Info: 15:51:00.869] Pose: 0
Name: SAM_328 [A]
Energy: -158.647
RMSD: 11.59
[Info: 15:51:00.869] Pose: 1
Name: SAM_328 [A]
Energy: -149.332
RMSD: 9.98116
[Info: 15:51:00.869] Beginning run 6 out of 10.

[Info: 15:51:00.885] Source Ligand was randomized. This will destroy its origina
l orientation.
[Info: 15:51:00.885] Deleting PoseGenerator
[Debug: 15:51:00.885] PoseGenerator: Min, Quick, Max: 10,10,30
[Info: 15:51:00.885] Reading bias file: C:/Program Files (x86)/Molegro/MVD/bin/.
./Misc/Data/sp2sp2a.csv
[Info: 15:51:00.900] Reading 626 values.
[Info: 15:51:00.900] Reading bias file: C:/Program Files (x86)/Molegro/MVD/bin/.
./Misc/Data/sp2sp3a.csv
[Info: 15:51:00.916] Reading 2378 values.
[Info: 15:51:00.916] Reading bias file: C:/Program Files (x86)/Molegro/MVD/bin/.
./Misc/Data/sp3sp3a.csv
[Info: 15:51:00.931] Reading 1868 values.
[Info: 15:51:00.931] We are docking from the current active ligand: SAM_328 [A]
[Debug: 15:51:00.947] Testing energy grid on input (rotated) ligand. Energy:154.
064
[Info: 15:51:00.947] Cavity information found in workspace.
[Info: 15:51:00.947] Shared cavity grid found. Reusing it.
[Info: 15:51:00.947] Started Measuring: Ligand SAM_328 [A]: run 6 out of 10.
[Info: 15:51:01.087] Turning off construction of new poses. (iteration: 6)
[Info: 15:51:01.992] Iteration: 10. Lowest Energy: -149.001. RMSD: 11.3667
[Info: 15:51:02.195] Iteration: 20. Lowest Energy: -150.253. RMSD: 11.4247
[Info: 15:51:02.413] Iteration: 30. Lowest Energy: -151.646. RMSD: 11.4003
[Info: 15:51:02.601] Iteration: 40. Lowest Energy: -151.869. RMSD: 11.3945
[Info: 15:51:03.193] Iteration: 70. Lowest Energy: -151.888. RMSD: 11.3975
[Info: 15:51:03.599] Iteration: 90. Lowest Energy: -151.921. RMSD: 11.3994
[Info: 15:51:03.802] Iteration: 100. Lowest Energy: -152.014. RMSD: 11.3918
[Info: 15:51:04.566] Iteration: 140. Lowest Energy: -152.036. RMSD: 11.3997
[Info: 15:51:04.972] Iteration: 160. Lowest Energy: -152.045. RMSD: 11.3998
[Info: 15:51:05.159] Iteration: 170. Lowest Energy: -152.208. RMSD: 11.4037
[Info: 15:51:05.362] Iteration: 180. Lowest Energy: -152.353. RMSD: 11.3929
[Info: 15:51:05.752] Iteration: 200. Lowest Energy: -152.379. RMSD: 11.419
[Info: 15:51:05.955] Iteration: 210. Lowest Energy: -152.461. RMSD: 11.3976
[Info: 15:51:06.157] Iteration: 220. Lowest Energy: -152.626. RMSD: 11.4171
[Info: 15:51:06.360] Iteration: 230. Lowest Energy: -152.772. RMSD: 11.4345
[Info: 15:51:06.766] Iteration: 250. Lowest Energy: -152.871. RMSD: 11.4435
[Info: 15:51:06.953] Iteration: 260. Lowest Energy: -152.887. RMSD: 11.4447
[Info: 15:51:07.203] Iteration: 270. Lowest Energy: -152.979. RMSD: 11.4397
[Info: 15:51:07.608] Iteration: 290. Lowest Energy: -153.141. RMSD: 11.4407
[Info: 15:51:07.780] Iteration: 300. Lowest Energy: -153.19. RMSD: 11.4394
[Info: 15:51:07.967] Iteration: 310. Lowest Energy: -153.238. RMSD: 11.4429
[Info: 15:51:08.139] Iteration: 320. Lowest Energy: -153.24. RMSD: 11.4424
[Info: 15:51:08.310] Iteration: 330. Lowest Energy: -153.242. RMSD: 11.4427
[Info: 15:51:08.497] Iteration: 340. Lowest Energy: -153.252. RMSD: 11.4424
[Info: 15:51:08.669] Iteration: 350. Lowest Energy: -153.269. RMSD: 11.443
[Info: 15:51:08.934] Iteration: 370. Lowest Energy: -153.273. RMSD: 11.4432
[Info: 15:51:09.059] Iteration: 380. Lowest Energy: -153.279. RMSD: 11.4432
[Info: 15:51:09.589] Iteration: 440. Lowest Energy: -153.28. RMSD: 11.4434
[Info: 15:51:09.808] Iteration: 470. Lowest Energy: -153.28. RMSD: 11.4433
[Info: 15:51:09.948] Iteration: 490. Lowest Energy: -153.28. RMSD: 11.4433
[Info: 15:51:10.307] Iteration: 550. Lowest Energy: -153.28. RMSD: 11.4433
[Info: 15:51:10.447] Iteration: 590. Lowest Energy: -153.281. RMSD: 11.4434
[Info: 15:51:10.463] Iteration: 600. Lowest Energy: -153.281. RMSD: 11.4434
[Info: 15:51:10.588] Docking run finished due to max iterations.
[Info: 15:51:10.588] Time = 9.641 s for 'Ligand SAM_328 [A]: run 6 out of 10.'.
[Debug: 15:51:10.588] MolDock SE::getBestSolutions
[Debug: 15:51:10.588] performClustering:50
[Info: 15:51:10.603] Pose: 0
Name: SAM_328 [A]
Energy: -153.281
RMSD: 11.4434
[Info: 15:51:10.603] Beginning run 7 out of 10.

[Info: 15:51:10.603] Source Ligand was randomized. This will destroy its origina
l orientation.
[Info: 15:51:10.603] Deleting PoseGenerator
[Debug: 15:51:10.603] PoseGenerator: Min, Quick, Max: 10,10,30
[Info: 15:51:10.603] Reading bias file: C:/Program Files (x86)/Molegro/MVD/bin/.
./Misc/Data/sp2sp2a.csv
[Info: 15:51:10.619] Reading 626 values.
[Info: 15:51:10.619] Reading bias file: C:/Program Files (x86)/Molegro/MVD/bin/.
./Misc/Data/sp2sp3a.csv
[Info: 15:51:10.635] Reading 2378 values.
[Info: 15:51:10.635] Reading bias file: C:/Program Files (x86)/Molegro/MVD/bin/.
./Misc/Data/sp3sp3a.csv
[Info: 15:51:10.650] Reading 1868 values.
[Info: 15:51:10.650] We are docking from the current active ligand: SAM_328 [A]
[Debug: 15:51:10.666] Testing energy grid on input (rotated) ligand. Energy:271.
964
[Info: 15:51:10.666] Cavity information found in workspace.
[Info: 15:51:10.666] Shared cavity grid found. Reusing it.
[Info: 15:51:10.666] Started Measuring: Ligand SAM_328 [A]: run 7 out of 10.
[Info: 15:51:10.791] Turning off construction of new poses. (iteration: 6)
[Info: 15:51:11.664] Iteration: 10. Lowest Energy: -157.999. RMSD: 11.2185
[Info: 15:51:12.444] Iteration: 50. Lowest Energy: -159.281. RMSD: 11.188
[Info: 15:51:13.037] Iteration: 80. Lowest Energy: -160.021. RMSD: 11.204
[Info: 15:51:14.004] Iteration: 130. Lowest Energy: -160.148. RMSD: 11.2328
[Info: 15:51:14.191] Iteration: 140. Lowest Energy: -168.106. RMSD: 11.4662
[Info: 15:51:14.784] Iteration: 170. Lowest Energy: -169.012. RMSD: 11.4414
[Info: 15:51:15.346] Iteration: 200. Lowest Energy: -169.206. RMSD: 11.444
[Info: 15:51:15.549] Iteration: 210. Lowest Energy: -169.746. RMSD: 11.4438
[Info: 15:51:15.939] Iteration: 230. Lowest Energy: -169.776. RMSD: 11.444
[Info: 15:51:16.141] Iteration: 240. Lowest Energy: -169.777. RMSD: 11.4441
[Info: 15:51:16.329] Iteration: 250. Lowest Energy: -169.815. RMSD: 11.441
[Info: 15:51:16.516] Iteration: 260. Lowest Energy: -169.881. RMSD: 11.4401
[Info: 15:51:16.890] Iteration: 280. Lowest Energy: -169.888. RMSD: 11.4389
[Info: 15:51:17.077] Iteration: 290. Lowest Energy: -170.568. RMSD: 11.4179
[Info: 15:51:17.280] Iteration: 300. Lowest Energy: -170.848. RMSD: 11.3911
[Info: 15:51:17.467] Iteration: 310. Lowest Energy: -171.078. RMSD: 11.3759
[Info: 15:51:17.655] Iteration: 320. Lowest Energy: -171.142. RMSD: 11.387
[Info: 15:51:17.857] Iteration: 330. Lowest Energy: -171.818. RMSD: 11.3673
[Info: 15:51:18.060] Iteration: 340. Lowest Energy: -173.27. RMSD: 11.3849
[Info: 15:51:18.263] Iteration: 350. Lowest Energy: -174.15. RMSD: 11.3194
[Info: 15:51:18.450] Iteration: 360. Lowest Energy: -174.48. RMSD: 11.3366
[Info: 15:51:18.637] Iteration: 370. Lowest Energy: -174.561. RMSD: 11.3338
[Info: 15:51:18.825] Iteration: 380. Lowest Energy: -175.402. RMSD: 11.2796
[Info: 15:51:19.012] Iteration: 390. Lowest Energy: -175.629. RMSD: 11.2829
[Info: 15:51:19.199] Iteration: 400. Lowest Energy: -175.825. RMSD: 11.2721
[Info: 15:51:19.371] Iteration: 410. Lowest Energy: -176.015. RMSD: 11.2658
[Info: 15:51:19.573] Iteration: 420. Lowest Energy: -176.213. RMSD: 11.2462
[Info: 15:51:19.761] Iteration: 430. Lowest Energy: -176.347. RMSD: 11.2377
[Info: 15:51:19.932] Iteration: 440. Lowest Energy: -176.487. RMSD: 11.2435
[Info: 15:51:20.088] Iteration: 450. Lowest Energy: -176.573. RMSD: 11.2327
[Info: 15:51:20.244] Iteration: 460. Lowest Energy: -176.616. RMSD: 11.2316
[Info: 15:51:20.385] Iteration: 470. Lowest Energy: -176.628. RMSD: 11.2314
[Info: 15:51:20.509] Iteration: 480. Lowest Energy: -176.634. RMSD: 11.23
[Info: 15:51:20.634] Iteration: 490. Lowest Energy: -176.656. RMSD: 11.2307
[Info: 15:51:20.962] Iteration: 520. Lowest Energy: -176.857. RMSD: 11.2113
[Info: 15:51:21.149] Iteration: 540. Lowest Energy: -176.899. RMSD: 11.2114
[Info: 15:51:21.227] Iteration: 550. Lowest Energy: -176.899. RMSD: 11.2118
[Info: 15:51:21.305] Iteration: 560. Lowest Energy: -176.97. RMSD: 11.2065
[Info: 15:51:21.367] Iteration: 570. Lowest Energy: -176.987. RMSD: 11.2081
[Info: 15:51:21.555] Iteration: 620. Lowest Energy: -176.987. RMSD: 11.208

[Info: 15:51:21.648] Docking run finished due to max iterations.


[Info: 15:51:21.648] Time = 10.982 s for 'Ligand SAM_328 [A]: run 7 out of 10.'.
[Debug: 15:51:21.648] MolDock SE::getBestSolutions
[Debug: 15:51:21.648] performClustering:50
[Info: 15:51:21.648] Pose: 0
Name: SAM_328 [A]
Energy: -176.987
RMSD: 11.208
[Info: 15:51:21.648] Beginning run 8 out of 10.
[Info: 15:51:21.648] Source Ligand was randomized. This will destroy its origina
l orientation.
[Info: 15:51:21.648] Deleting PoseGenerator
[Debug: 15:51:21.648] PoseGenerator: Min, Quick, Max: 10,10,30
[Info: 15:51:21.648] Reading bias file: C:/Program Files (x86)/Molegro/MVD/bin/.
./Misc/Data/sp2sp2a.csv
[Info: 15:51:21.664] Reading 626 values.
[Info: 15:51:21.664] Reading bias file: C:/Program Files (x86)/Molegro/MVD/bin/.
./Misc/Data/sp2sp3a.csv
[Info: 15:51:21.679] Reading 2378 values.
[Info: 15:51:21.679] Reading bias file: C:/Program Files (x86)/Molegro/MVD/bin/.
./Misc/Data/sp3sp3a.csv
[Info: 15:51:21.695] Reading 1868 values.
[Info: 15:51:21.695] We are docking from the current active ligand: SAM_328 [A]
[Debug: 15:51:21.711] Testing energy grid on input (rotated) ligand. Energy:626.
177
[Info: 15:51:21.711] Cavity information found in workspace.
[Info: 15:51:21.711] Shared cavity grid found. Reusing it.
[Info: 15:51:21.711] Started Measuring: Ligand SAM_328 [A]: run 8 out of 10.
[Info: 15:51:21.820] Turning off construction of new poses. (iteration: 5)
[Info: 15:51:22.226] Iteration: 10. Lowest Energy: -149.927. RMSD: 10.4204
[Info: 15:51:22.616] Iteration: 30. Lowest Energy: -157.794. RMSD: 10.7302
[Info: 15:51:23.006] Iteration: 50. Lowest Energy: -161.353. RMSD: 10.7714
[Info: 15:51:23.598] Iteration: 80. Lowest Energy: -166.604. RMSD: 10.8701
[Info: 15:51:24.378] Iteration: 120. Lowest Energy: -170.818. RMSD: 10.8504
[Info: 15:51:24.768] Iteration: 140. Lowest Energy: -173.03. RMSD: 10.8449
[Info: 15:51:25.011] Iteration: 150. Lowest Energy: -176.496. RMSD: 10.8744
[Info: 15:51:25.201] Iteration: 160. Lowest Energy: -177.726. RMSD: 10.8519
[Info: 15:51:25.401] Iteration: 170. Lowest Energy: -178.089. RMSD: 10.8366
[Info: 15:51:25.771] Iteration: 190. Lowest Energy: -178.15. RMSD: 10.8349
[Info: 15:51:26.135] Iteration: 210. Lowest Energy: -178.277. RMSD: 10.8159
[Info: 15:51:26.322] Iteration: 220. Lowest Energy: -178.281. RMSD: 10.8164
[Info: 15:51:26.510] Iteration: 230. Lowest Energy: -178.376. RMSD: 10.8053
[Info: 15:51:26.666] Iteration: 240. Lowest Energy: -178.384. RMSD: 10.8037
[Info: 15:51:26.837] Iteration: 250. Lowest Energy: -178.409. RMSD: 10.803
[Info: 15:51:26.993] Iteration: 260. Lowest Energy: -178.411. RMSD: 10.8045
[Info: 15:51:27.118] Iteration: 270. Lowest Energy: -178.428. RMSD: 10.8001
[Info: 15:51:27.399] Iteration: 290. Lowest Energy: -178.434. RMSD: 10.8008
[Info: 15:51:27.555] Iteration: 300. Lowest Energy: -178.442. RMSD: 10.7998
[Info: 15:51:27.648] Iteration: 310. Lowest Energy: -178.453. RMSD: 10.8008
[Info: 15:51:27.789] Iteration: 320. Lowest Energy: -178.457. RMSD: 10.8002
[Info: 15:51:27.914] Iteration: 330. Lowest Energy: -178.459. RMSD: 10.7995
[Info: 15:51:28.007] Iteration: 340. Lowest Energy: -178.461. RMSD: 10.8001
[Info: 15:51:28.085] Iteration: 350. Lowest Energy: -178.463. RMSD: 10.7997
[Info: 15:51:28.163] Iteration: 360. Lowest Energy: -178.467. RMSD: 10.799
[Info: 15:51:28.288] Iteration: 380. Lowest Energy: -178.467. RMSD: 10.7993
[Info: 15:51:28.350] Iteration: 390. Lowest Energy: -178.467. RMSD: 10.7993
[Info: 15:51:28.444] Iteration: 400. Lowest Energy: -178.468. RMSD: 10.7994
[Info: 15:51:28.725] Iteration: 450. Lowest Energy: -178.468. RMSD: 10.7994
[Info: 15:51:28.896] Iteration: 500. Lowest Energy: -178.468. RMSD: 10.7994
[Info: 15:51:28.959] Iteration: 530. Lowest Energy: -178.468. RMSD: 10.7993
[Info: 15:51:28.990] Iteration: 540. Lowest Energy: -178.469. RMSD: 10.7992
[Info: 15:51:29.037] Iteration: 560. Lowest Energy: -178.469. RMSD: 10.7992

[Info: 15:51:29.068] Iteration: 570. Lowest Energy: -178.469. RMSD: 10.7992


[Info: 15:51:29.099] Iteration: 590. Lowest Energy: -178.469. RMSD: 10.7992
[Info: 15:51:29.302] Docking run finished due to max iterations.
[Info: 15:51:29.302] Time = 7.591 s for 'Ligand SAM_328 [A]: run 8 out of 10.'.
[Debug: 15:51:29.318] MolDock SE::getBestSolutions
[Debug: 15:51:29.318] performClustering:50
[Info: 15:51:29.318] Pose: 0
Name: SAM_328 [A]
Energy: -178.469
RMSD: 10.7992
[Info: 15:51:29.318] Beginning run 9 out of 10.
[Info: 15:51:29.333] Source Ligand was randomized. This will destroy its origina
l orientation.
[Info: 15:51:29.333] Deleting PoseGenerator
[Debug: 15:51:29.333] PoseGenerator: Min, Quick, Max: 10,10,30
[Info: 15:51:29.333] Reading bias file: C:/Program Files (x86)/Molegro/MVD/bin/.
./Misc/Data/sp2sp2a.csv
[Info: 15:51:29.349] Reading 626 values.
[Info: 15:51:29.349] Reading bias file: C:/Program Files (x86)/Molegro/MVD/bin/.
./Misc/Data/sp2sp3a.csv
[Info: 15:51:29.364] Reading 2378 values.
[Info: 15:51:29.364] Reading bias file: C:/Program Files (x86)/Molegro/MVD/bin/.
./Misc/Data/sp3sp3a.csv
[Info: 15:51:29.380] Reading 1868 values.
[Info: 15:51:29.380] We are docking from the current active ligand: SAM_328 [A]
[Debug: 15:51:29.396] Testing energy grid on input (rotated) ligand. Energy:1008
2.7
[Info: 15:51:29.396] Cavity information found in workspace.
[Info: 15:51:29.396] Shared cavity grid found. Reusing it.
[Info: 15:51:29.396] Started Measuring: Ligand SAM_328 [A]: run 9 out of 10.
[Info: 15:51:29.520] Turning off construction of new poses. (iteration: 5)
[Info: 15:51:29.723] Iteration: 10. Lowest Energy: -116.323. RMSD: 12.0973
[Info: 15:51:29.926] Iteration: 20. Lowest Energy: -118.48. RMSD: 12.1052
[Info: 15:51:30.113] Iteration: 30. Lowest Energy: -121.809. RMSD: 12.1635
[Info: 15:51:30.316] Iteration: 40. Lowest Energy: -124.991. RMSD: 12.1438
[Info: 15:51:30.519] Iteration: 50. Lowest Energy: -126.002. RMSD: 12.1607
[Info: 15:51:30.722] Iteration: 60. Lowest Energy: -145.239. RMSD: 11.9712
[Info: 15:51:31.096] Iteration: 80. Lowest Energy: -153.717. RMSD: 12.0449
[Info: 15:51:31.658] Iteration: 110. Lowest Energy: -155.449. RMSD: 11.9973
[Info: 15:51:31.845] Iteration: 120. Lowest Energy: -156.176. RMSD: 11.9957
[Info: 15:51:32.250] Iteration: 140. Lowest Energy: -158.178. RMSD: 11.9763
[Info: 15:51:32.828] Iteration: 170. Lowest Energy: -160.379. RMSD: 11.9655
[Info: 15:51:33.405] Iteration: 200. Lowest Energy: -160.578. RMSD: 11.9634
[Info: 15:51:33.592] Iteration: 210. Lowest Energy: -161.875. RMSD: 11.9463
[Info: 15:51:33.795] Iteration: 220. Lowest Energy: -165.815. RMSD: 11.9115
[Info: 15:51:33.982] Iteration: 230. Lowest Energy: -167.001. RMSD: 11.9989
[Info: 15:51:34.185] Iteration: 240. Lowest Energy: -167.146. RMSD: 11.9979
[Info: 15:51:34.372] Iteration: 250. Lowest Energy: -167.34. RMSD: 11.9857
[Info: 15:51:34.559] Iteration: 260. Lowest Energy: -167.436. RMSD: 11.9906
[Info: 15:51:34.746] Iteration: 270. Lowest Energy: -167.49. RMSD: 11.9917
[Info: 15:51:34.918] Iteration: 280. Lowest Energy: -167.653. RMSD: 12.0066
[Info: 15:51:35.105] Iteration: 290. Lowest Energy: -167.689. RMSD: 12.0267
[Info: 15:51:35.277] Iteration: 300. Lowest Energy: -167.712. RMSD: 12.0222
[Info: 15:51:35.448] Iteration: 310. Lowest Energy: -167.721. RMSD: 12.0377
[Info: 15:51:35.604] Iteration: 320. Lowest Energy: -167.73. RMSD: 12.0329
[Info: 15:51:35.729] Iteration: 330. Lowest Energy: -167.739. RMSD: 12.0311
[Info: 15:51:35.948] Iteration: 350. Lowest Energy: -167.742. RMSD: 12.0297
[Info: 15:51:36.135] Iteration: 370. Lowest Energy: -167.742. RMSD: 12.0304
[Info: 15:51:36.213] Iteration: 380. Lowest Energy: -167.746. RMSD: 12.0298
[Info: 15:51:36.306] Iteration: 390. Lowest Energy: -167.747. RMSD: 12.0311
[Info: 15:51:36.369] Iteration: 400. Lowest Energy: -167.747. RMSD: 12.0307
[Info: 15:51:36.712] Iteration: 470. Lowest Energy: -167.747. RMSD: 12.0305

[Info: 15:51:36.774] Iteration: 490. Lowest Energy: -167.747. RMSD: 12.0305


[Info: 15:51:36.946] Docking run finished due to max iterations.
[Info: 15:51:36.946] Time = 7.55 s for 'Ligand SAM_328 [A]: run 9 out of 10.'.
[Debug: 15:51:36.946] MolDock SE::getBestSolutions
[Debug: 15:51:36.946] performClustering:50
[Info: 15:51:36.946] Pose: 0
Name: SAM_328 [A]
Energy: -167.747
RMSD: 12.0305
[Info: 15:51:36.946] Beginning run 10 out of 10.
[Info: 15:51:36.946] Source Ligand was randomized. This will destroy its origina
l orientation.
[Info: 15:51:36.946] Deleting PoseGenerator
[Debug: 15:51:36.946] PoseGenerator: Min, Quick, Max: 10,10,30
[Info: 15:51:36.946] Reading bias file: C:/Program Files (x86)/Molegro/MVD/bin/.
./Misc/Data/sp2sp2a.csv
[Info: 15:51:36.962] Reading 626 values.
[Info: 15:51:36.962] Reading bias file: C:/Program Files (x86)/Molegro/MVD/bin/.
./Misc/Data/sp2sp3a.csv
[Info: 15:51:36.977] Reading 2378 values.
[Info: 15:51:36.977] Reading bias file: C:/Program Files (x86)/Molegro/MVD/bin/.
./Misc/Data/sp3sp3a.csv
[Info: 15:51:36.993] Reading 1868 values.
[Info: 15:51:36.993] We are docking from the current active ligand: SAM_328 [A]
[Debug: 15:51:37.008] Testing energy grid on input (rotated) ligand. Energy:152.
402
[Info: 15:51:37.008] Cavity information found in workspace.
[Info: 15:51:37.008] Shared cavity grid found. Reusing it.
[Info: 15:51:37.008] Started Measuring: Ligand SAM_328 [A]: run 10 out of 10.
[Info: 15:51:37.118] Turning off construction of new poses. (iteration: 5)
[Info: 15:51:37.851] Iteration: 10. Lowest Energy: -142.423. RMSD: 12.8828
[Info: 15:51:38.241] Iteration: 30. Lowest Energy: -152.176. RMSD: 12.9458
[Info: 15:51:38.818] Iteration: 60. Lowest Energy: -164.692. RMSD: 13.3215
[Info: 15:51:39.005] Iteration: 70. Lowest Energy: -165.059. RMSD: 13.3366
[Info: 15:51:39.395] Iteration: 90. Lowest Energy: -165.784. RMSD: 13.2437
[Info: 15:51:39.801] Iteration: 110. Lowest Energy: -166.213. RMSD: 13.2797
[Info: 15:51:40.066] Iteration: 120. Lowest Energy: -166.497. RMSD: 13.2901
[Info: 15:51:40.331] Iteration: 130. Lowest Energy: -166.498. RMSD: 13.2921
[Info: 15:51:40.752] Iteration: 150. Lowest Energy: -166.519. RMSD: 13.2927
[Info: 15:51:41.189] Iteration: 170. Lowest Energy: -166.54. RMSD: 13.2967
[Info: 15:51:41.376] Iteration: 180. Lowest Energy: -166.541. RMSD: 13.2965
[Info: 15:51:41.704] Iteration: 200. Lowest Energy: -166.593. RMSD: 13.3067
[Info: 15:51:42.016] Iteration: 220. Lowest Energy: -166.612. RMSD: 13.3058
[Info: 15:51:42.188] Iteration: 230. Lowest Energy: -166.638. RMSD: 13.3066
[Info: 15:51:42.359] Iteration: 240. Lowest Energy: -166.648. RMSD: 13.308
[Info: 15:51:42.515] Iteration: 250. Lowest Energy: -166.655. RMSD: 13.3082
[Info: 15:51:42.640] Iteration: 260. Lowest Energy: -166.656. RMSD: 13.3079
[Info: 15:51:42.952] Iteration: 290. Lowest Energy: -166.658. RMSD: 13.3083
[Info: 15:51:43.061] Iteration: 300. Lowest Energy: -166.658. RMSD: 13.3082
[Info: 15:51:43.295] Iteration: 320. Lowest Energy: -166.658. RMSD: 13.3081
[Info: 15:51:43.373] Iteration: 330. Lowest Energy: -166.659. RMSD: 13.3081
[Info: 15:51:43.514] Iteration: 350. Lowest Energy: -166.66. RMSD: 13.3083
[Info: 15:51:43.623] Iteration: 370. Lowest Energy: -166.66. RMSD: 13.3083
[Info: 15:51:43.670] Iteration: 380. Lowest Energy: -166.66. RMSD: 13.3083
[Info: 15:51:43.841] Iteration: 420. Lowest Energy: -166.66. RMSD: 13.3083
[Info: 15:51:43.966] Iteration: 440. Lowest Energy: -166.66. RMSD: 13.3083
[Info: 15:51:44.075] Iteration: 460. Lowest Energy: -166.66. RMSD: 13.3083
[Info: 15:51:44.106] Iteration: 470. Lowest Energy: -166.66. RMSD: 13.3083
[Info: 15:51:44.262] Iteration: 510. Lowest Energy: -166.66. RMSD: 13.3083
[Info: 15:51:44.325] Iteration: 520. Lowest Energy: -166.66. RMSD: 13.3083
[Info: 15:51:44.387] Iteration: 550. Lowest Energy: -166.66. RMSD: 13.3083
[Info: 15:51:44.465] Iteration: 590. Lowest Energy: -166.66. RMSD: 13.3083

[Info: 15:51:44.621] Docking run finished due to max iterations.


[Info: 15:51:44.621] Time = 7.613 s for 'Ligand SAM_328 [A]: run 10 out of 10.'.
[Debug: 15:51:44.637] MolDock SE::getBestSolutions
[Debug: 15:51:44.637] performClustering:50
[Info: 15:51:44.637] Pose: 0
Name: SAM_328 [A]
Energy: -166.66 RMSD: 13
.3083
[Info: 15:51:44.637] All runs finished.
[Debug: 15:51:44.668] in cluster final poses: temporaryPoses size: 17
[Debug: 15:51:44.668] performClustering:17
[Info: 15:51:44.668] Saving poses in dir:C:/Users/Farmasi Komunitas/Desktop/
[Debug: 15:51:44.668] Created Evaluator
[Debug: 15:51:44.668] Created MolegroEvaluator
[Debug: 15:51:44.668] useGridPenalty [NOTICE OVERRIDEN]: false
[Debug: 15:51:44.668] solvation: 1
[Debug: 15:51:44.668] hbond90: true
[Debug: 15:51:44.668] Set ignoreWater to: false
[Debug: 15:51:44.668] cavity [NOTICE OVERRIDEN]: false
[Debug: 15:51:44.902] Deleted MolegroEvaluator.
[Debug: 15:51:44.902] Deleted Evaluator
[Debug: 15:51:44.902] Cleared Tabu Ligand list.List size: 0
[Info: 15:51:44.902] Saving pose: [00] SAM_328 [A].mol2
[Info: 15:51:44.902] Saving file: C:/Users/Farmasi Komunitas/Desktop/[00] SAM_32
8 [A].mol2
[Info: 15:51:44.918] Saving pose: [01] SAM_328 [A].mol2
[Info: 15:51:44.918] Saving file: C:/Users/Farmasi Komunitas/Desktop/[01] SAM_32
8 [A].mol2
[Info: 15:51:44.918] Saving pose: [02] SAM_328 [A].mol2
[Info: 15:51:44.918] Saving file: C:/Users/Farmasi Komunitas/Desktop/[02] SAM_32
8 [A].mol2
[Info: 15:51:44.918] Saving pose: [03] SAM_328 [A].mol2
[Info: 15:51:44.918] Saving file: C:/Users/Farmasi Komunitas/Desktop/[03] SAM_32
8 [A].mol2
[Info: 15:51:44.933] Saving pose: [04] SAM_328 [A].mol2
[Info: 15:51:44.933] Saving file: C:/Users/Farmasi Komunitas/Desktop/[04] SAM_32
8 [A].mol2
[Debug: 15:51:44.933] Deleted MolegroGridEvaluator
[Debug: 15:51:44.933] Deleted Evaluator
[Debug: 15:51:44.933] Cleared Tabu Ligand list.List size: 0
[Info: 15:51:44.933] Adding output file: C:/Users/Farmasi Komunitas/Desktop/Dock
ingResults-2.mvdresults
[Info: 15:51:44.933] Deleting MolDock SE instance
[Info: 15:51:44.933] Deleting PoseGenerator
[Debug: 15:51:44.949] Deleted MolegroGridEvaluator
[Debug: 15:51:44.949] Deleted Evaluator
[Debug: 15:51:44.949] Cleared Tabu Ligand list.List size: 0
[Debug: 15:51:44.949] MEMUSAGE !MEM-DELTA: 203484 (WS: 101844 PF: 101640) for [D
OCK]
[Debug: 15:51:44.949] Executing line 13 of 14: NEW.
[Debug: 15:51:44.964] Destroyed MoleculeGrid @ 49510184
[Info: 15:51:44.964] Releasing memory for 1 grids
[Debug: 15:51:44.980] Unregistered energy-grid at 21162800
[Debug: 15:51:44.980] Destroyed MoleculeGrid @ 21162800
[Debug: 15:51:44.996] MEMUSAGE !MEM-DELTA: -205984 (WS: -102996 PF: -102988) for
[NEW]
[Info: 15:51:44.996] Script finished.
[Info: 15:51:44.996]
[Info: 15:51:44.996] Import the results file into MVD by:
[Info: 15:51:44.996] 1) selecting 'Import Docking Results (*.mvdresults)...' fro
m the file menu
[Info: 15:51:44.996] 2) or dragging and dropping the results file onto the MVD a

pplication
[Info: 15:51:44.996]
[Info: 15:51:44.996] (Hint: you can drag the icon below onto the main applicatio
n to inspect the results.)
[Info: 15:51:44.996]
[Info: 15:51:44.996] It is safe to close this window now
[Info: 15:52:43.826] User pressed stop...
[Info: 15:52:43.826] Trying to close script interface...