core.init: Checking for fconfig files in pwd and ./rosetta/flags core.init: Rosetta version: rosetta.source.release-274 r274 2020.50+release.1295438 1295438cd4bd2be39c9dbbfab8db669ab62415ab https://www.rosettacommons.org 2020-12-13T21:33:15.479874 core.init: command: /home/progs/rosetta_src_2020.50.61505_bundle/main/source//bin/calibur.linuxgccrelease -pdb_list pdb_list.txt basic.random.init_random_generator: 'RNG device' seed mode, using '/dev/urandom', seed=-492333594 seed_offset=0 real_seed=-492333594 basic.random.init_random_generator: RandomGenerator:init: Normal mode, seed=-492333594 RG_type=mt19937 core.init: found database environment variable ROSETTA3_DB: /home/progs/rosetta_src_2020.50.61505_bundle/main/database/ Using C-alphas #1-end Filtering on Signature mode off Using chains 'A', 'B', 'C', 'D', 'E', 'F', 'G', 'H', 'I', 'J', 'K', 'L', 'M', 'N', 'O', 'P', 'Q', 'R', 'S', 'T', 'U', 'V', 'W', 'X', 'Y', 'Z', 'a', 'b', 'c', 'd', 'e', 'f', 'g', 'h', 'i', 'j', 'k', 'l', 'm', 'n', 'o', 'p', 'q', 'r', 's', 't', 'u', 'v', 'w', 'x', 'y', 'z', '0', '1', '2', '3', '4', '5', '6', '7', '8', '9', ' ' in PDB files Before names_ assignment Read 100 decoy names Estimating threshold range... Estimating threshold range... 6.2% Estimating threshold range... 12.5% Estimating threshold range... 18.8% Estimating threshold range... 25.0% Estimating threshold range... 31.2% Estimating threshold range... 37.5% Estimating threshold range... 43.8% Estimating threshold range... 50.0% Estimating threshold range... 56.2% Estimating threshold range... 62.5% Estimating threshold range... 68.8% Estimating threshold range... 75.0% Estimating threshold range... 81.2% Estimating threshold range... 87.5% Estimating threshold range... 93.8% Estimating threshold range... 100.0% Estimating threshold range... complete Estimated threshold range = [1.89323, 7.37151] Most frequent distance = 3.52540 0.00000 percent distances below 1.96271 Finding threshold to keep 0.00000% edges Threshold = 1.96271 Reading decoys with signature mode off and filter mode on Read 0.0% Read 1.0% Read 2.0% Read 3.0% Read 4.0% Read 5.0% Read 6.0% Read 7.0% Read 8.0% Read 9.0% Read 10.0% Read 11.0% Read 12.0% Read 13.0% Read 14.0% Read 15.0% Read 16.0% Read 17.0% Read 18.0% Read 19.0% Read 20.0% Read 21.0% Read 22.0% Read 23.0% Read 24.0% Read 25.0% Read 26.0% Read 27.0% Read 28.0% Read 29.0% Read 30.0% Read 31.0% Read 32.0% Read 33.0% Read 34.0% Read 35.0% Read 36.0% Read 37.0% Read 38.0% Read 39.0% Read 40.0% Read 41.0% Read 42.0% Read 43.0% Read 44.0% Read 45.0% Read 46.0% Read 47.0% Read 48.0% Read 49.0% Read 50.0% Read 51.0% Read 52.0% Read 53.0% Read 54.0% Read 55.0% Read 56.0% Read 57.0% Read 58.0% Read 59.0% Read 60.0% Read 61.0% Read 62.0% Read 63.0% Read 64.0% Read 65.0% Read 66.0% Read 67.0% Read 68.0% Read 69.0% Read 70.0% Read 71.0% Read 72.0% Read 73.0% Read 74.0% Read 75.0% Read 76.0% Read 77.0% Read 78.0% Read 79.0% Read 80.0% Read 81.0% Read 82.0% Read 83.0% Read 84.0% Read 85.0% Read 86.0% Read 87.0% Read 88.0% Read 89.0% Read 90.0% Read 91.0% Read 92.0% Read 93.0% Read 94.0% Read 95.0% Read 96.0% Read 97.0% Read 98.0% Read 99.0% Read 99 decoys. Filtered 1 outlier decoys. Decoys read in 0.00314 s Initialized 99 decoys. Use of SCUD's bound off Using MATRIX mode Auxiliary clustering... Auxiliary clustering... 0.0% Auxiliary clustering... 1.0% Auxiliary clustering... 2.0% Auxiliary clustering... 3.0% Auxiliary clustering... 4.0% Auxiliary clustering... 5.1% Auxiliary clustering... 6.1% Auxiliary clustering... 7.1% Auxiliary clustering... 8.1% Auxiliary clustering... 9.1% Auxiliary clustering... 10.1% Auxiliary clustering... 11.1% Auxiliary clustering... 12.1% Auxiliary clustering... 13.1% Auxiliary clustering... 14.1% Auxiliary clustering... 15.2% Auxiliary clustering... 16.2% Auxiliary clustering... 17.2% Auxiliary clustering... 18.2% Auxiliary clustering... 19.2% Auxiliary clustering... 20.2% Auxiliary clustering... 21.2% Auxiliary clustering... 22.2% Auxiliary clustering... 23.2% Auxiliary clustering... 24.2% Auxiliary clustering... 25.3% Auxiliary clustering... 26.3% Auxiliary clustering... 27.3% Auxiliary clustering... 28.3% Auxiliary clustering... 29.3% Auxiliary clustering... 30.3% Auxiliary clustering... 31.3% Auxiliary clustering... 32.3% Auxiliary clustering... 33.3% Auxiliary clustering... 34.3% Auxiliary clustering... 35.4% Auxiliary clustering... 36.4% Auxiliary clustering... 37.4% Auxiliary clustering... 38.4% Auxiliary clustering... 39.4% Auxiliary clustering... 40.4% Auxiliary clustering... 41.4% Auxiliary clustering... 42.4% Auxiliary clustering... 43.4% Auxiliary clustering... 44.4% Auxiliary clustering... 45.5% Auxiliary clustering... 46.5% Auxiliary clustering... 47.5% Auxiliary clustering... 48.5% Auxiliary clustering... 49.5% Auxiliary clustering... 50.5% Auxiliary clustering... 51.5% Auxiliary clustering... 52.5% Auxiliary clustering... 53.5% Auxiliary clustering... 54.5% Auxiliary clustering... 55.6% Auxiliary clustering... 56.6% Auxiliary clustering... 57.6% Auxiliary clustering... 58.6% Auxiliary clustering... 59.6% Auxiliary clustering... 60.6% Auxiliary clustering... 61.6% Auxiliary clustering... 62.6% Auxiliary clustering... 63.6% Auxiliary clustering... 64.6% Auxiliary clustering... 65.7% Auxiliary clustering... 66.7% Auxiliary clustering... 67.7% Auxiliary clustering... 68.7% Auxiliary clustering... 69.7% Auxiliary clustering... 70.7% Auxiliary clustering... 71.7% Auxiliary clustering... 72.7% Auxiliary clustering... 73.7% Auxiliary clustering... 74.7% Auxiliary clustering... 75.8% Auxiliary clustering... 76.8% Auxiliary clustering... 77.8% Auxiliary clustering... 78.8% Auxiliary clustering... 79.8% Auxiliary clustering... 80.8% Auxiliary clustering... 81.8% Auxiliary clustering... 82.8% Auxiliary clustering... 83.8% Auxiliary clustering... 84.8% Auxiliary clustering... 85.9% Auxiliary clustering... 86.9% Auxiliary clustering... 87.9% Auxiliary clustering... 88.9% Auxiliary clustering... 89.9% Auxiliary clustering... 90.9% Auxiliary clustering... 91.9% Auxiliary clustering... 92.9% Auxiliary clustering... 93.9% Auxiliary clustering... 94.9% Auxiliary clustering... 96.0% Auxiliary clustering... 97.0% Auxiliary clustering... 98.0% Auxiliary clustering... 99.0% AuxiliaryClustering... completed in 0.00816 s Finding decoys neighbors... Finding decoys' neighbors... completed 0.0% Finding decoys' neighbors... completed 1.0% Finding decoys' neighbors... completed 2.0% Finding decoys' neighbors... completed 3.0% Finding decoys' neighbors... completed 4.0% Finding decoys' neighbors... completed 5.1% Finding decoys' neighbors... completed 6.1% Finding decoys' neighbors... completed 7.1% Finding decoys' neighbors... completed 8.1% Finding decoys' neighbors... completed 9.1% Finding decoys' neighbors... completed 10.1% Finding decoys' neighbors... completed 11.1% Finding decoys' neighbors... completed 12.1% Finding decoys' neighbors... completed 13.1% Finding decoys' neighbors... completed 14.1% Finding decoys' neighbors... completed 15.2% Finding decoys' neighbors... completed 16.2% Finding decoys' neighbors... completed 17.2% Finding decoys' neighbors... completed 18.2% Finding decoys' neighbors... completed 19.2% Finding decoys' neighbors... completed 20.2% Finding decoys' neighbors... completed 21.2% Finding decoys' neighbors... completed 22.2% Finding decoys' neighbors... completed 23.2% Finding decoys' neighbors... completed 24.2% Finding decoys' neighbors... completed 25.3% Finding decoys' neighbors... completed 26.3% Finding decoys' neighbors... completed 27.3% Finding decoys' neighbors... completed 28.3% Finding decoys' neighbors... completed 29.3% Finding decoys' neighbors... completed 30.3% Finding decoys' neighbors... completed 31.3% Finding decoys' neighbors... completed 32.3% Finding decoys' neighbors... completed 33.3% Finding decoys' neighbors... completed 34.3% Finding decoys' neighbors... completed 35.4% Finding decoys' neighbors... completed 36.4% Finding decoys' neighbors... completed 37.4% Finding decoys' neighbors... completed 38.4% Finding decoys' neighbors... completed 39.4% Finding decoys' neighbors... completed 40.4% Finding decoys' neighbors... completed 41.4% Finding decoys' neighbors... completed 42.4% Finding decoys' neighbors... completed 43.4% Finding decoys' neighbors... completed 44.4% Finding decoys' neighbors... completed 45.5% Finding decoys' neighbors... completed 46.5% Finding decoys' neighbors... completed 47.5% Finding decoys' neighbors... completed 48.5% Finding decoys' neighbors... completed 49.5% Finding decoys' neighbors... completed 50.5% Finding decoys' neighbors... completed 51.5% Finding decoys' neighbors... completed 52.5% Finding decoys' neighbors... completed 53.5% Finding decoys' neighbors... completed 54.5% Finding decoys' neighbors... completed 55.6% Finding decoys' neighbors... completed 56.6% Finding decoys' neighbors... completed 57.6% Finding decoys' neighbors... completed 58.6% Finding decoys' neighbors... completed 59.6% Finding decoys' neighbors... completed 60.6% Finding decoys' neighbors... completed 61.6% Finding decoys' neighbors... completed 62.6% Finding decoys' neighbors... completed 63.6% Finding decoys' neighbors... completed 64.6% Finding decoys' neighbors... completed 65.7% Finding decoys' neighbors... completed 66.7% Finding decoys' neighbors... completed 67.7% Finding decoys' neighbors... completed 68.7% Finding decoys' neighbors... completed 69.7% Finding decoys' neighbors... completed 70.7% Finding decoys' neighbors... completed 71.7% Finding decoys' neighbors... completed 72.7% Finding decoys' neighbors... completed 73.7% Finding decoys' neighbors... completed 74.7% Finding decoys' neighbors... completed 75.8% Finding decoys' neighbors... completed 76.8% Finding decoys' neighbors... completed 77.8% Finding decoys' neighbors... completed 78.8% Finding decoys' neighbors... completed 79.8% Finding decoys' neighbors... completed 80.8% Finding decoys' neighbors... completed 81.8% Finding decoys' neighbors... completed 82.8% Finding decoys' neighbors... completed 83.8% Finding decoys' neighbors... completed 84.8% Finding decoys' neighbors... completed 85.9% Finding decoys' neighbors... completed 86.9% Finding decoys' neighbors... completed 87.9% Finding decoys' neighbors... completed 88.9% Finding decoys' neighbors... completed 89.9% Finding decoys' neighbors... completed 90.9% Finding decoys' neighbors... completed 91.9% Finding decoys' neighbors... completed 92.9% Finding decoys' neighbors... completed 93.9% Finding decoys' neighbors... completed 94.9% Finding decoys' neighbors... completed 96.0% Finding decoys' neighbors... completed 97.0% Finding decoys' neighbors... completed 98.0% Finding decoys' neighbors... completed 99.0% Finding all neighbors completed in 0.01600 s Finding and removing largest clusters...Removing 0-th (6) in 55's LIST swap with 1 with id 55 Removing 0-th (55) in 55's LIST swap with 0 with id 55 Removing 0-th (20) in 59's LIST swap with 1 with id 59 Removing 0-th (59) in 59's LIST swap with 0 with id 59 completed in 0.00005 s Largest 2 cluster centers: model_43.pdb(2), model_81.pdb(2). Margin = 0.00000% Best cluster larger than 2nd best cluster by only 0.00000% (<15.00000%) Two possible clusters could be present. Starting refined clustering... Estimating threshold range... Estimating threshold range... 6.2% Estimating threshold range... 12.5% Estimating threshold range... 18.8% Estimating threshold range... 25.0% Estimating threshold range... 31.2% Estimating threshold range... 37.5% Estimating threshold range... 43.8% Estimating threshold range... 50.0% Estimating threshold range... 56.2% Estimating threshold range... 62.5% Estimating threshold range... 68.8% Estimating threshold range... 75.0% Estimating threshold range... 81.2% Estimating threshold range... 87.5% Estimating threshold range... 93.8% Estimating threshold range... 100.0% Estimating threshold range... complete Estimated threshold range = [1.89323, 3.26323] Most frequent distance = 2.64323 0.50000 percent distances below 2.64323 Auxiliary clustering... Auxiliary clustering... 0.0% Auxiliary clustering... 1.0% Auxiliary clustering... 1.9% Auxiliary clustering... 2.9% Auxiliary clustering... 3.9% Auxiliary clustering... 4.9% Auxiliary clustering... 5.8% Auxiliary clustering... 6.8% Auxiliary clustering... 7.8% Auxiliary clustering... 8.7% Auxiliary clustering... 9.7% Auxiliary clustering... 10.7% Auxiliary clustering... 11.7% Auxiliary clustering... 12.6% Auxiliary clustering... 13.6% Auxiliary clustering... 14.6% Auxiliary clustering... 15.5% Auxiliary clustering... 16.5% Auxiliary clustering... 17.5% Auxiliary clustering... 18.4% Auxiliary clustering... 19.4% Auxiliary clustering... 20.4% Auxiliary clustering... 21.4% Auxiliary clustering... 22.3% Auxiliary clustering... 23.3% Auxiliary clustering... 24.3% Auxiliary clustering... 25.2% Auxiliary clustering... 26.2% Auxiliary clustering... 27.2% Auxiliary clustering... 28.2% Auxiliary clustering... 29.1% Auxiliary clustering... 30.1% Auxiliary clustering... 31.1% Auxiliary clustering... 32.0% Auxiliary clustering... 33.0% Auxiliary clustering... 34.0% Auxiliary clustering... 35.0% Auxiliary clustering... 35.9% Auxiliary clustering... 36.9% Auxiliary clustering... 37.9% Auxiliary clustering... 38.8% Auxiliary clustering... 39.8% Auxiliary clustering... 40.8% Auxiliary clustering... 41.7% Auxiliary clustering... 42.7% Auxiliary clustering... 43.7% Auxiliary clustering... 44.7% Auxiliary clustering... 45.6% Auxiliary clustering... 46.6% Auxiliary clustering... 47.6% Auxiliary clustering... 48.5% Auxiliary clustering... 49.5% Auxiliary clustering... 50.5% Auxiliary clustering... 51.5% Auxiliary clustering... 52.4% Auxiliary clustering... 53.4% Auxiliary clustering... 54.4% Auxiliary clustering... 55.3% Auxiliary clustering... 56.3% Auxiliary clustering... 57.3% Auxiliary clustering... 58.3% Auxiliary clustering... 59.2% Auxiliary clustering... 60.2% Auxiliary clustering... 61.2% Auxiliary clustering... 62.1% Auxiliary clustering... 63.1% Auxiliary clustering... 64.1% Auxiliary clustering... 65.0% Auxiliary clustering... 66.0% Auxiliary clustering... 67.0% Auxiliary clustering... 68.0% Auxiliary clustering... 68.9% Auxiliary clustering... 69.9% Auxiliary clustering... 70.9% Auxiliary clustering... 71.8% Auxiliary clustering... 72.8% Auxiliary clustering... 73.8% Auxiliary clustering... 74.8% Auxiliary clustering... 75.7% Auxiliary clustering... 76.7% Auxiliary clustering... 77.7% Auxiliary clustering... 78.6% Auxiliary clustering... 79.6% Auxiliary clustering... 80.6% Auxiliary clustering... 81.6% Auxiliary clustering... 82.5% Auxiliary clustering... 83.5% Auxiliary clustering... 84.5% Auxiliary clustering... 85.4% Auxiliary clustering... 86.4% Auxiliary clustering... 87.4% Auxiliary clustering... 88.3% Auxiliary clustering... 89.3% Auxiliary clustering... 90.3% Auxiliary clustering... 91.3% Auxiliary clustering... 92.2% Auxiliary clustering... 93.2% Auxiliary clustering... 94.2% Auxiliary clustering... 95.1% Auxiliary clustering... 96.1% Auxiliary clustering... 97.1% Auxiliary clustering... 98.1% Auxiliary clustering... 99.0% AuxiliaryClustering... completed in 0.01166 s Finding decoys neighbors... Finding decoys' neighbors... completed 0.0% Finding decoys' neighbors... completed 1.0% Finding decoys' neighbors... completed 2.0% Finding decoys' neighbors... completed 3.0% Finding decoys' neighbors... completed 4.0% Finding decoys' neighbors... completed 5.0% Finding decoys' neighbors... completed 6.0% Finding decoys' neighbors... completed 7.0% Finding decoys' neighbors... completed 8.0% Finding decoys' neighbors... completed 9.0% Finding decoys' neighbors... completed 10.0% Finding decoys' neighbors... completed 11.0% Finding decoys' neighbors... completed 12.0% Finding decoys' neighbors... completed 13.0% Finding decoys' neighbors... completed 14.0% Finding decoys' neighbors... completed 15.0% Finding decoys' neighbors... completed 16.0% Finding decoys' neighbors... completed 17.0% Finding decoys' neighbors... completed 18.0% Finding decoys' neighbors... completed 19.0% Finding decoys' neighbors... completed 20.0% Finding decoys' neighbors... completed 21.0% Finding decoys' neighbors... completed 22.0% Finding decoys' neighbors... completed 23.0% Finding decoys' neighbors... completed 24.0% Finding decoys' neighbors... completed 25.0% Finding decoys' neighbors... completed 26.0% Finding decoys' neighbors... completed 27.0% Finding decoys' neighbors... completed 28.0% Finding decoys' neighbors... completed 29.0% Finding decoys' neighbors... completed 30.0% Finding decoys' neighbors... completed 31.0% Finding decoys' neighbors... completed 32.0% Finding decoys' neighbors... completed 33.0% Finding decoys' neighbors... completed 34.0% Finding decoys' neighbors... completed 35.0% Finding decoys' neighbors... completed 36.0% Finding decoys' neighbors... completed 37.0% Finding decoys' neighbors... completed 38.0% Finding decoys' neighbors... completed 39.0% Finding decoys' neighbors... completed 40.0% Finding decoys' neighbors... completed 41.0% Finding decoys' neighbors... completed 42.0% Finding decoys' neighbors... completed 43.0% Finding decoys' neighbors... completed 44.0% Finding decoys' neighbors... completed 45.0% Finding decoys' neighbors... completed 46.0% Finding decoys' neighbors... completed 47.0% Finding decoys' neighbors... completed 48.0% Finding decoys' neighbors... completed 49.0% Finding decoys' neighbors... completed 50.0% Finding decoys' neighbors... completed 51.0% Finding decoys' neighbors... completed 52.0% Finding decoys' neighbors... completed 53.0% Finding decoys' neighbors... completed 54.0% Finding decoys' neighbors... completed 55.0% Finding decoys' neighbors... completed 56.0% Finding decoys' neighbors... completed 57.0% Finding decoys' neighbors... completed 58.0% Finding decoys' neighbors... completed 59.0% Finding decoys' neighbors... completed 60.0% Finding decoys' neighbors... completed 61.0% Finding decoys' neighbors... completed 62.0% Finding decoys' neighbors... completed 63.0% Finding decoys' neighbors... completed 64.0% Finding decoys' neighbors... completed 65.0% Finding decoys' neighbors... completed 66.0% Finding decoys' neighbors... completed 67.0% Finding decoys' neighbors... completed 68.0% Finding decoys' neighbors... completed 69.0% Finding decoys' neighbors... completed 70.0% Finding decoys' neighbors... completed 71.0% Finding decoys' neighbors... completed 72.0% Finding decoys' neighbors... completed 73.0% Finding decoys' neighbors... completed 74.0% Finding decoys' neighbors... completed 75.0% Finding decoys' neighbors... completed 76.0% Finding decoys' neighbors... completed 77.0% Finding decoys' neighbors... completed 78.0% Finding decoys' neighbors... completed 79.0% Finding decoys' neighbors... completed 80.0% Finding decoys' neighbors... completed 81.0% Finding decoys' neighbors... completed 82.0% Finding decoys' neighbors... completed 83.0% Finding decoys' neighbors... completed 84.0% Finding decoys' neighbors... completed 85.0% Finding decoys' neighbors... completed 86.0% Finding decoys' neighbors... completed 87.0% Finding decoys' neighbors... completed 88.0% Finding decoys' neighbors... completed 89.0% Finding decoys' neighbors... completed 90.0% Finding decoys' neighbors... completed 91.0% Finding decoys' neighbors... completed 92.0% Finding decoys' neighbors... completed 93.0% Finding decoys' neighbors... completed 94.0% Finding decoys' neighbors... completed 95.0% Finding decoys' neighbors... completed 96.0% Finding decoys' neighbors... completed 97.0% Finding decoys' neighbors... completed 98.0% Finding decoys' neighbors... completed 99.0% Finding all neighbors completed in 0.01200 s Finding and removing largest clusters...Removing 0-th (5) in 5's LIST swap with 11 with id 89 Removing 0-th (5) in 15's LIST swap with 13 with id 89 Removing 0-th (5) in 32's LIST swap with 9 with id 89 Removing 0-th (5) in 33's LIST swap with 16 with id 100 Removing 0-th (5) in 38's LIST swap with 12 with id 82 Removing 0-th (5) in 39's LIST swap with 8 with id 94 Removing 0-th (5) in 53's LIST swap with 4 with id 89 Removing 1-th (5) in 58's LIST swap with 18 with id 100 Removing 0-th (5) in 74's LIST swap with 8 with id 91 Removing 0-th (5) in 76's LIST swap with 19 with id 98 Removing 0-th (5) in 87's LIST swap with 14 with id 100 Removing 0-th (9) in 9's LIST swap with 11 with id 89 Removing 0-th (9) in 13's LIST swap with 11 with id 81 Removing 0-th (9) in 24's LIST swap with 9 with id 89 Removing 0-th (9) in 25's LIST swap with 15 with id 89 Removing 2-th (9) in 31's LIST swap with 15 with id 91 Removing 0-th (9) in 50's LIST swap with 7 with id 64 Removing 0-th (9) in 52's LIST swap with 12 with id 83 Removing 0-th (9) in 54's LIST swap with 2 with id 89 Removing 1-th (9) in 57's LIST swap with 15 with id 97 Removing 0-th (9) in 79's LIST swap with 11 with id 100 Removing 0-th (9) in 83's LIST swap with 9 with id 94 Removing 1-th (15) in 12's LIST swap with 3 with id 65 Removing 2-th (15) in 15's LIST swap with 12 with id 78 Removing 0-th (15) in 30's LIST swap with 4 with id 62 Removing 3-th (15) in 31's LIST swap with 14 with id 89 Removing 1-th (15) in 32's LIST swap with 8 with id 69 Removing 1-th (15) in 39's LIST swap with 7 with id 93 Removing 1-th (15) in 53's LIST swap with 3 with id 53 Removing 3-th (15) in 58's LIST swap with 17 with id 97 Removing 1-th (15) in 65's LIST swap with 7 with id 100 Removing 0-th (15) in 69's LIST swap with 10 with id 97 Removing 4-th (15) in 76's LIST swap with 18 with id 91 Removing 0-th (15) in 78's LIST swap with 1 with id 78 Removing 3-th (24) in 13's LIST swap with 10 with id 67 Removing 2-th (24) in 24's LIST swap with 8 with id 83 Removing 3-th (24) in 25's LIST swap with 14 with id 86 Removing 2-th (24) in 42's LIST swap with 19 with id 100 Removing 2-th (24) in 57's LIST swap with 14 with id 89 Removing 0-th (24) in 70's LIST swap with 4 with id 83 Removing 3-th (24) in 81's LIST swap with 17 with id 100 Removing 1-th (24) in 83's LIST swap with 8 with id 89 Removing 4-th (25) in 13's LIST swap with 9 with id 64 Removing 2-th (25) in 17's LIST swap with 3 with id 33 Removing 1-th (25) in 86's LIST swap with 8 with id 86 Removing 4-th (25) in 25's LIST swap with 13 with id 83 Removing 4-th (25) in 31's LIST swap with 13 with id 79 Removing 2-th (25) in 36's LIST swap with 11 with id 98 Removing 3-th (25) in 42's LIST swap with 18 with id 97 Removing 2-th (25) in 49's LIST swap with 7 with id 81 Removing 1-th (25) in 50's LIST swap with 6 with id 52 Removing 4-th (25) in 52's LIST swap with 11 with id 82 Removing 2-th (25) in 64's LIST swap with 7 with id 64 Removing 4-th (25) in 81's LIST swap with 16 with id 89 Removing 2-th (25) in 83's LIST swap with 7 with id 83 Removing 2-th (31) in 6's LIST swap with 8 with id 82 Removing 2-th (31) in 101's LIST swap with 8 with id 82 Removing 1-th (31) in 91's LIST swap with 12 with id 100 Removing 1-th (31) in 79's LIST swap with 10 with id 94 Removing 5-th (31) in 31's LIST swap with 12 with id 74 Removing 2-th (31) in 32's LIST swap with 7 with id 58 Removing 4-th (31) in 38's LIST swap with 11 with id 81 Removing 2-th (31) in 50's LIST swap with 5 with id 50 Removing 2-th (31) in 55's LIST swap with 11 with id 98 Removing 2-th (31) in 102's LIST swap with 11 with id 98 Removing 4-th (31) in 58's LIST swap with 16 with id 89 Removing 1-th (31) in 74's LIST swap with 7 with id 89 Removing 1-th (32) in 69's LIST swap with 9 with id 91 Removing 5-th (32) in 58's LIST swap with 15 with id 87 Removing 3-th (32) in 32's LIST swap with 6 with id 57 Removing 0-th (32) in 45's LIST swap with 2 with id 75 Removing 2-th (32) in 53's LIST swap with 2 with id 32 Removing 3-th (32) in 57's LIST swap with 13 with id 87 Removing 3-th (42) in 20's LIST swap with 6 with id 100 Removing 3-th (42) in 99's LIST swap with 6 with id 100 Removing 4-th (42) in 100's LIST swap with 14 with id 100 Removing 0-th (42) in 97's LIST swap with 11 with id 100 Removing 7-th (42) in 33's LIST swap with 15 with id 93 Removing 3-th (42) in 39's LIST swap with 6 with id 90 Removing 6-th (42) in 42's LIST swap with 17 with id 94 Removing 5-th (42) in 57's LIST swap with 12 with id 83 Removing 7-th (42) in 58's LIST swap with 14 with id 81 Removing 4-th (42) in 59's LIST swap with 14 with id 97 Removing 2-th (42) in 69's LIST swap with 8 with id 89 Removing 0-th (42) in 77's LIST swap with 7 with id 97 Removing 3-th (42) in 79's LIST swap with 9 with id 89 Removing 9-th (42) in 81's LIST swap with 15 with id 82 Removing 3-th (42) in 87's LIST swap with 13 with id 97 Removing 3-th (42) in 91's LIST swap with 11 with id 91 Removing 1-th (42) in 94's LIST swap with 8 with id 97 Removing 1-th (53) in 53's LIST swap with 1 with id 53 Removing 1-th (54) in 54's LIST swap with 1 with id 54 Removing 1-th (57) in 4's LIST swap with 2 with id 58 Removing 1-th (57) in 97's LIST swap with 10 with id 97 Removing 4-th (57) in 87's LIST swap with 12 with id 94 Removing 9-th (57) in 38's LIST swap with 10 with id 62 Removing 4-th (57) in 83's LIST swap with 6 with id 79 Removing 6-th (57) in 57's LIST swap with 11 with id 81 Removing 8-th (57) in 58's LIST swap with 13 with id 79 Removing 3-th (57) in 69's LIST swap with 7 with id 88 Removing 2-th (57) in 70's LIST swap with 3 with id 70 Removing 1-th (57) in 77's LIST swap with 6 with id 89 Removing 11-th (57) in 81's LIST swap with 14 with id 81 Removing 1-th (58) in 4's LIST swap with 1 with id 58 Removing 5-th (58) in 100's LIST swap with 13 with id 97 Removing 8-th (58) in 13's LIST swap with 8 with id 58 Removing 2-th (58) in 97's LIST swap with 9 with id 94 Removing 5-th (58) in 87's LIST swap with 11 with id 91 Removing 8-th (58) in 33's LIST swap with 14 with id 87 Removing 12-th (58) in 81's LIST swap with 13 with id 59 Removing 4-th (58) in 79's LIST swap with 8 with id 87 Removing 9-th (58) in 58's LIST swap with 12 with id 77 Removing 5-th (58) in 59's LIST swap with 13 with id 91 Removing 4-th (58) in 69's LIST swap with 6 with id 77 Removing 2-th (58) in 77's LIST swap with 5 with id 87 Removing 4-th (59) in 20's LIST swap with 5 with id 81 Removing 4-th (59) in 99's LIST swap with 5 with id 81 Removing 2-th (59) in 27's LIST swap with 5 with id 100 Removing 9-th (59) in 33's LIST swap with 13 with id 82 Removing 3-th (59) in 97's LIST swap with 8 with id 89 Removing 4-th (59) in 91's LIST swap with 10 with id 89 Removing 6-th (59) in 59's LIST swap with 12 with id 89 Removing 2-th (59) in 65's LIST swap with 6 with id 91 Removing 5-th (59) in 79's LIST swap with 7 with id 83 Removing 12-th (59) in 81's LIST swap with 12 with id 59 Removing 12-th (59) in 82's LIST swap with 18 with id 100 Removing 6-th (59) in 87's LIST swap with 10 with id 89 Removing 4-th (69) in 97's LIST swap with 7 with id 88 Removing 6-th (69) in 91's LIST swap with 9 with id 87 Removing 1-th (69) in 88's LIST swap with 4 with id 97 Removing 3-th (69) in 77's LIST swap with 4 with id 77 Removing 5-th (69) in 69's LIST swap with 5 with id 69 Removing 7-th (74) in 91's LIST swap with 8 with id 76 Removing 7-th (74) in 55's LIST swap with 10 with id 86 Removing 7-th (74) in 102's LIST swap with 10 with id 86 Removing 4-th (74) in 74's LIST swap with 6 with id 86 Removing 13-th (74) in 76's LIST swap with 17 with id 90 Removing 6-th (74) in 86's LIST swap with 7 with id 76 Removing 0-th (75) in 45's LIST swap with 1 with id 45 Removing 1-th (75) in 75's LIST swap with 2 with id 89 Removing 5-th (77) in 97's LIST swap with 6 with id 87 Removing 7-th (77) in 87's LIST swap with 9 with id 87 Removing 3-th (77) in 77's LIST swap with 3 with id 77 Removing 7-th (79) in 100's LIST swap with 12 with id 91 Removing 2-th (79) in 94's LIST swap with 7 with id 94 Removing 11-th (79) in 33's LIST swap with 12 with id 81 Removing 8-th (79) in 87's LIST swap with 8 with id 79 Removing 4-th (79) in 83's LIST swap with 5 with id 70 Removing 6-th (79) in 79's LIST swap with 6 with id 79 Removing 0-th (81) in 13's LIST swap with 7 with id 52 Removing 4-th (81) in 20's LIST swap with 4 with id 81 Removing 4-th (81) in 99's LIST swap with 4 with id 81 Removing 8-th (81) in 100's LIST swap with 11 with id 89 Removing 11-th (81) in 33's LIST swap with 11 with id 81 Removing 9-th (81) in 36's LIST swap with 10 with id 82 Removing 4-th (81) in 38's LIST swap with 9 with id 62 Removing 5-th (81) in 39's LIST swap with 5 with id 81 Removing 15-th (81) in 82's LIST swap with 17 with id 98 Removing 2-th (81) in 49's LIST swap with 6 with id 64 Removing 11-th (81) in 81's LIST swap with 11 with id 81 Removing 3-th (83) in 94's LIST swap with 6 with id 89 Removing 2-th (83) in 83's LIST swap with 4 with id 70 Removing 0-th (83) in 52's LIST swap with 10 with id 64 Removing 0-th (83) in 70's LIST swap with 2 with id 70 Removing 10-th (87) in 100's LIST swap with 10 with id 87 Removing 3-th (87) in 27's LIST swap with 4 with id 91 Removing 8-th (87) in 33's LIST swap with 10 with id 76 Removing 5-th (87) in 97's LIST swap with 5 with id 87 Removing 4-th (87) in 94's LIST swap with 5 with id 88 Removing 6-th (87) in 91's LIST swap with 7 with id 76 Removing 7-th (87) in 87's LIST swap with 7 with id 87 Removing 0-th (89) in 5's LIST swap with 10 with id 87 Removing 0-th (89) in 9's LIST swap with 10 with id 83 Removing 0-th (89) in 15's LIST swap with 11 with id 76 Removing 0-th (89) in 24's LIST swap with 7 with id 81 Removing 0-th (89) in 25's LIST swap with 12 with id 81 Removing 3-th (89) in 31's LIST swap with 11 with id 58 Removing 0-th (89) in 32's LIST swap with 5 with id 53 Removing 15-th (89) in 42's LIST swap with 16 with id 91 Removing 0-th (89) in 53's LIST swap with 0 with id 89 Removing 0-th (89) in 54's LIST swap with 0 with id 89 Removing 2-th (89) in 57's LIST swap with 10 with id 77 Removing 4-th (89) in 58's LIST swap with 11 with id 69 Removing 6-th (89) in 59's LIST swap with 11 with id 87 Removing 2-th (89) in 69's LIST swap with 4 with id 77 Removing 1-th (89) in 74's LIST swap with 5 with id 76 Removing 1-th (89) in 75's LIST swap with 1 with id 89 Removing 1-th (89) in 77's LIST swap with 2 with id 87 Removing 3-th (89) in 79's LIST swap with 5 with id 83 Removing 4-th (89) in 81's LIST swap with 10 with id 49 Removing 1-th (89) in 83's LIST swap with 3 with id 52 Removing 6-th (89) in 87's LIST swap with 6 with id 89 Removing 4-th (89) in 91's LIST swap with 6 with id 76 Removing 3-th (89) in 94's LIST swap with 4 with id 88 Removing 3-th (89) in 97's LIST swap with 4 with id 88 Removing 8-th (89) in 100's LIST swap with 9 with id 82 Removing 3-th (91) in 27's LIST swap with 3 with id 91 Removing 7-th (91) in 100's LIST swap with 8 with id 82 Removing 3-th (91) in 35's LIST swap with 3 with id 91 Removing 3-th (91) in 91's LIST swap with 5 with id 65 Removing 4-th (91) in 76's LIST swap with 16 with id 86 Removing 2-th (91) in 65's LIST swap with 5 with id 86 Removing 0-th (94) in 39's LIST swap with 4 with id 76 Removing 2-th (94) in 97's LIST swap with 3 with id 88 Removing 2-th (94) in 94's LIST swap with 3 with id 88 Removing 3-th (94) in 88's LIST swap with 3 with id 94 Removing 5-th (97) in 100's LIST swap with 7 with id 82 Removing 1-th (97) in 97's LIST swap with 2 with id 88 Removing 1-th (97) in 88's LIST swap with 2 with id 88 Removing 3-th (100) in 20's LIST swap with 3 with id 100 Removing 3-th (100) in 99's LIST swap with 3 with id 100 Removing 2-th (100) in 27's LIST swap with 2 with id 100 Removing 0-th (100) in 33's LIST swap with 9 with id 82 Removing 4-th (100) in 100's LIST swap with 6 with id 65 Removing 12-th (100) in 82's LIST swap with 16 with id 82 Removing 1-th (100) in 65's LIST swap with 4 with id 76 Removing 0-th (0) in 0's LIST swap with 3 with id 98 Removing 0-th (0) in 66's LIST swap with 4 with id 98 Removing 0-th (0) in 98's LIST swap with 10 with id 98 Removing 0-th (6) in 6's LIST swap with 7 with id 76 Removing 0-th (6) in 101's LIST swap with 7 with id 76 Removing 1-th (6) in 33's LIST swap with 8 with id 76 Removing 1-th (6) in 38's LIST swap with 8 with id 102 Removing 0-th (6) in 55's LIST swap with 9 with id 82 Removing 0-th (6) in 102's LIST swap with 9 with id 82 Removing 1-th (6) in 76's LIST swap with 15 with id 82 Removing 2-th (101) in 76's LIST swap with 14 with id 76 Removing 1-th (101) in 101's LIST swap with 6 with id 102 Removing 2-th (101) in 33's LIST swap with 7 with id 93 Removing 2-th (101) in 38's LIST swap with 7 with id 55 Removing 1-th (101) in 55's LIST swap with 8 with id 76 Removing 1-th (101) in 102's LIST swap with 8 with id 76 Removing 0-th (11) in 11's LIST swap with 8 with id 98 Removing 0-th (11) in 22's LIST swap with 5 with id 62 Removing 0-th (11) in 36's LIST swap with 9 with id 82 Removing 0-th (11) in 67's LIST swap with 3 with id 67 Removing 3-th (11) in 76's LIST swap with 13 with id 90 Removing 0-th (11) in 86's LIST swap with 6 with id 76 Removing 0-th (11) in 90's LIST swap with 3 with id 90 Removing 1-th (11) in 98's LIST swap with 9 with id 82 Removing 1-th (14) in 7's LIST swap with 1 with id 14 Removing 1-th (14) in 14's LIST swap with 5 with id 82 Removing 1-th (14) in 36's LIST swap with 8 with id 68 Removing 2-th (14) in 52's LIST swap with 9 with id 52 Removing 1-th (14) in 64's LIST swap with 6 with id 52 Removing 2-th (29) in 20's LIST swap with 2 with id 29 Removing 2-th (29) in 99's LIST swap with 2 with id 29 Removing 2-th (29) in 29's LIST swap with 4 with id 98 Removing 2-th (29) in 98's LIST swap with 8 with id 76 Removing 5-th (33) in 76's LIST swap with 12 with id 72 Removing 0-th (33) in 93's LIST swap with 2 with id 93 Removing 2-th (33) in 12's LIST swap with 2 with id 33 Removing 5-th (33) in 13's LIST swap with 6 with id 49 Removing 2-th (33) in 17's LIST swap with 2 with id 33 Removing 6-th (33) in 33's LIST swap with 6 with id 33 Removing 0-th (36) in 68's LIST swap with 2 with id 76 Removing 3-th (36) in 98's LIST swap with 7 with id 72 Removing 3-th (36) in 36's LIST swap with 7 with id 67 Removing 3-th (36) in 50's LIST swap with 4 with id 49 Removing 5-th (36) in 52's LIST swap with 8 with id 50 Removing 3-th (36) in 64's LIST swap with 5 with id 50 Removing 2-th (36) in 67's LIST swap with 2 with id 36 Removing 3-th (38) in 102's LIST swap with 7 with id 86 Removing 3-th (38) in 55's LIST swap with 7 with id 86 Removing 3-th (38) in 30's LIST swap with 3 with id 38 Removing 2-th (38) in 62's LIST swap with 4 with id 82 Removing 5-th (38) in 38's LIST swap with 6 with id 52 Removing 6-th (38) in 52's LIST swap with 7 with id 49 Removing 1-th (52) in 64's LIST swap with 4 with id 49 Removing 0-th (52) in 13's LIST swap with 5 with id 49 Removing 2-th (52) in 52's LIST swap with 6 with id 49 Removing 4-th (52) in 22's LIST swap with 4 with id 52 Removing 1-th (52) in 50's LIST swap with 3 with id 49 Removing 5-th (52) in 49's LIST swap with 5 with id 52 Removing 8-th (55) in 76's LIST swap with 11 with id 68 Removing 4-th (55) in 98's LIST swap with 6 with id 66 Removing 3-th (55) in 86's LIST swap with 5 with id 65 Removing 4-th (55) in 55's LIST swap with 6 with id 72 Removing 4-th (55) in 102's LIST swap with 6 with id 72 Removing 0-th (55) in 72's LIST swap with 4 with id 98 Removing 9-th (102) in 76's LIST swap with 10 with id 65 Removing 5-th (102) in 98's LIST swap with 5 with id 102 Removing 4-th (102) in 86's LIST swap with 4 with id 102 Removing 1-th (102) in 72's LIST swap with 3 with id 76 Removing 5-th (102) in 102's LIST swap with 5 with id 102 Removing 2-th (82) in 0's LIST swap with 2 with id 82 Removing 2-th (82) in 6's LIST swap with 6 with id 102 Removing 2-th (82) in 101's LIST swap with 5 with id 55 Removing 5-th (82) in 11's LIST swap with 7 with id 90 Removing 1-th (82) in 14's LIST swap with 4 with id 64 Removing 3-th (82) in 29's LIST swap with 3 with id 82 Removing 0-th (82) in 33's LIST swap with 5 with id 17 Removing 0-th (82) in 36's LIST swap with 6 with id 64 Removing 0-th (82) in 38's LIST swap with 5 with id 52 Removing 4-th (82) in 52's LIST swap with 5 with id 50 Removing 0-th (82) in 55's LIST swap with 5 with id 102 Removing 0-th (82) in 102's LIST swap with 4 with id 72 Removing 2-th (82) in 62's LIST swap with 3 with id 62 Removing 1-th (82) in 76's LIST swap with 9 with id 65 Removing 1-th (82) in 98's LIST swap with 4 with id 66 Removing 0-th (62) in 22's LIST swap with 3 with id 49 Removing 0-th (62) in 30's LIST swap with 2 with id 30 Removing 2-th (62) in 62's LIST swap with 2 with id 62 Removing 2-th (76) in 98's LIST swap with 3 with id 72 Removing 1-th (76) in 65's LIST swap with 3 with id 65 Removing 2-th (76) in 76's LIST swap with 8 with id 68 Removing 2-th (76) in 90's LIST swap with 2 with id 76 Removing 0-th (76) in 86's LIST swap with 3 with id 65 Removing 1-th (76) in 72's LIST swap with 2 with id 72 Removing 0-th (76) in 39's LIST swap with 3 with id 90 Removing 1-th (76) in 43's LIST swap with 2 with id 86 Removing 0-th (76) in 68's LIST swap with 1 with id 68 Removing 0-th (98) in 98's LIST swap with 2 with id 72 Removing 0-th (98) in 66's LIST swap with 3 with id 66 Removing 0-th (98) in 72's LIST swap with 1 with id 72 Removing 0-th (49) in 22's LIST swap with 2 with id 30 Removing 1-th (49) in 64's LIST swap with 3 with id 50 Removing 3-th (49) in 49's LIST swap with 4 with id 50 Removing 1-th (49) in 50's LIST swap with 2 with id 50 Removing 0-th (13) in 49's LIST swap with 3 with id 50 Removing 0-th (13) in 17's LIST swap with 1 with id 17 Removing 1-th (13) in 67's LIST swap with 1 with id 13 Removing 0-th (13) in 64's LIST swap with 2 with id 64 Removing 0-th (17) in 17's LIST swap with 0 with id 17 Removing 0-th (67) in 67's LIST swap with 0 with id 67 Removing 0-th (64) in 64's LIST swap with 1 with id 50 Removing 0-th (64) in 50's LIST swap with 1 with id 50 Removing 0-th (37) in 37's LIST swap with 2 with id 63 Removing 0-th (37) in 48's LIST swap with 3 with id 73 Removing 0-th (48) in 73's LIST swap with 1 with id 73 Removing 1-th (48) in 48's LIST swap with 2 with id 63 Removing 0-th (63) in 37's LIST swap with 1 with id 48 Removing 1-th (63) in 48's LIST swap with 1 with id 63 Removing 2-th (63) in 66's LIST swap with 2 with id 63 Removing 0-th (66) in 66's LIST swap with 1 with id 56 Removing 2-th (66) in 56's LIST swap with 2 with id 66 Removing 0-th (12) in 12's LIST swap with 1 with id 65 Removing 0-th (65) in 12's LIST swap with 0 with id 65 Removing 0-th (65) in 86's LIST swap with 2 with id 43 Removing 1-th (86) in 43's LIST swap with 1 with id 86 Removing 1-th (86) in 86's LIST swap with 1 with id 86 Removing 0-th (27) in 27's LIST swap with 1 with id 35 Removing 0-th (35) in 27's LIST swap with 0 with id 35 Removing 0-th (35) in 88's LIST swap with 1 with id 88 Removing 0-th (88) in 88's LIST swap with 0 with id 88 Removing 0-th (90) in 90's LIST swap with 1 with id 39 Removing 0-th (93) in 93's LIST swap with 1 with id 39 Removing 0-th (39) in 90's LIST swap with 0 with id 39 Removing 0-th (39) in 93's LIST swap with 0 with id 39 Removing 1-th (40) in 70's LIST swap with 1 with id 40 Removing 0-th (40) in 71's LIST swap with 1 with id 71 Removing 0-th (70) in 70's LIST swap with 0 with id 70 Removing 0-th (71) in 71's LIST swap with 0 with id 71 Removing 0-th (56) in 60's LIST swap with 1 with id 60 Removing 0-th (60) in 60's LIST swap with 0 with id 60 Removing 0-th (20) in 99's LIST swap with 1 with id 99 Removing 0-th (99) in 99's LIST swap with 0 with id 99 Removing 0-th (28) in 28's LIST swap with 1 with id 92 Removing 0-th (92) in 28's LIST swap with 0 with id 92 Removing 0-th (30) in 30's LIST swap with 1 with id 22 Removing 0-th (22) in 30's LIST swap with 0 with id 22 completed in 0.00181 s Largest 2 cluster centers: model_97.pdb(26), model_42.pdb(19). Margin = 26.92308% cluster = 0; center = model_97.pdb; n_decoy_members = 26; members = Warning: attempted to access the 5 element of names_ (4)! Warning: attempted to access the 9 element of names_ (4)! Warning: attempted to access the 15 element of names_ (4)! Warning: attempted to access the 24 element of names_ (4)! Warning: attempted to access the 25 element of names_ (4)! Warning: attempted to access the 31 element of names_ (4)! Warning: attempted to access the 32 element of names_ (4)! Warning: attempted to access the 42 element of names_ (4)! Warning: attempted to access the 53 element of names_ (4)! Warning: attempted to access the 54 element of names_ (4)! Warning: attempted to access the 57 element of names_ (4)! Warning: attempted to access the 58 element of names_ (4)! Warning: attempted to access the 59 element of names_ (4)! Warning: attempted to access the 69 element of names_ (4)! Warning: attempted to access the 74 element of names_ (4)! Warning: attempted to access the 75 element of names_ (4)! Warning: attempted to access the 77 element of names_ (4)! Warning: attempted to access the 79 element of names_ (4)! Warning: attempted to access the 81 element of names_ (4)! Warning: attempted to access the 83 element of names_ (4)! Warning: attempted to access the 87 element of names_ (4)! Warning: attempted to access the 89 element of names_ (4)! Warning: attempted to access the 91 element of names_ (4)! Warning: attempted to access the 94 element of names_ (4)! Warning: attempted to access the 97 element of names_ (4)! Warning: attempted to access the 100 element of names_ (4)! cluster = 1; center = model_42.pdb; n_decoy_members = 16; members = Warning: attempted to access the 6 element of names_ (4)! Warning: attempted to access the 101 element of names_ (4)! Warning: attempted to access the 11 element of names_ (4)! Warning: attempted to access the 14 element of names_ (4)! Warning: attempted to access the 29 element of names_ (4)! Warning: attempted to access the 33 element of names_ (4)! Warning: attempted to access the 36 element of names_ (4)! Warning: attempted to access the 38 element of names_ (4)! Warning: attempted to access the 52 element of names_ (4)! Warning: attempted to access the 55 element of names_ (4)! Warning: attempted to access the 102 element of names_ (4)! Warning: attempted to access the 82 element of names_ (4)! Warning: attempted to access the 62 element of names_ (4)! Warning: attempted to access the 76 element of names_ (4)! Warning: attempted to access the 98 element of names_ (4)!