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Recipe: seg_tot_not_tot
Created by brgreening 99 2352
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Name: seg_tot_not_tot
ID: 49612
Created on: Wed, 07/16/2014 - 11:03
Updated on: Wed, 07/16/2014 - 18:03
Description:

This shows that the sum of the segment energies is not equal to the energy for the whole protein.



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LociOiling's picture
User offline. Last seen 4 hours 10 min ago. Offline
Joined: 12/27/2012
Groups: Beta Folders
Interesting result

I ran this recipe on puzzle 938, which doesn't have any filters. The results don't add up, as expected.

It's not clear to me whether rounding errors or similar computational differences would account for the difference.

For example, it's possible that the energy score for a given segment is an estimate, and that the overall energy score is a somewhat different calculation. This might explain small discrepancies.

Exploration Multiplier: 0
normal is true
Score: 8964.8212604563
Energy Score: 8964.8212604563
This shows that the sum of the
segment scores + 8000.00 is not equal to
the energy score for the whole
protein. This was run under
20140707-373183ff75-win_x86
Puzzle name: 938: CASP11 T0838: WeFold Round
Amino Acid Count: 133
Score: 8964.8212604563
Lua version: Lua 5.1
User: LociOiling
Group: Beta Folders
Local Date Time: 07/16/14 14:09:08
UTC Time: 2014-07-16 19:09:08 UTC

Segment Energy: 1 -2.4333681408133
Segment Energy: 2 -29.437208326587
Segment Energy: 3 10.859826687818
Segment Energy: 4 1.4953107627768
Segment Energy: 5 17.412627845843
Segment Energy: 6 -8.1911652257948
Segment Energy: 7 3.5019474064956
Segment Energy: 8 -5.2261695281547
Segment Energy: 9 6.4544659267855
Segment Energy: 10 19.413480811627
Segment Energy: 11 14.112867545408
Segment Energy: 12 25.89831273126
Segment Energy: 13 -7.6189580019822
Segment Energy: 14 8.0406129447134
Segment Energy: 15 -16.816860389282
Segment Energy: 16 7.352751956998
Segment Energy: 17 -0.17905304457998
Segment Energy: 18 14.549137403203
Segment Energy: 19 4.2912832320631
Segment Energy: 20 -36.524721036678
Segment Energy: 21 -0.18192664450489
Segment Energy: 22 5.9181709159862
Segment Energy: 23 -4.6891078299203
Segment Energy: 24 5.2272480661885
Segment Energy: 25 10.815487551838
Segment Energy: 26 -1.2820999655478
Segment Energy: 27 2.4469514005829
Segment Energy: 28 4.3087531197208
Segment Energy: 29 -26.504359474296
Segment Energy: 30 -44.408217736524
Segment Energy: 31 9.0274289607012
Segment Energy: 32 13.067005748093
Segment Energy: 33 12.610687804511
Segment Energy: 34 2.7059503197141
Segment Energy: 35 8.9653807056365
Segment Energy: 36 8.5264773901733
Segment Energy: 37 23.950989883842
Segment Energy: 38 25.260406513792
Segment Energy: 39 12.789394464802
Segment Energy: 40 30.149775655782
Segment Energy: 41 1.3301958766524
Segment Energy: 42 23.177877781173
Segment Energy: 43 4.0626482558566
Segment Energy: 44 6.2364021703548
Segment Energy: 45 5.0047605455332
Segment Energy: 46 4.0728486221582
Segment Energy: 47 0.27429516984616
Segment Energy: 48 19.347504348019
Segment Energy: 49 34.198475269981
Segment Energy: 50 24.944249073847
Segment Energy: 51 12.330247401179
Segment Energy: 52 19.913655344214
Segment Energy: 53 27.158529386
Segment Energy: 54 17.592553122355
Segment Energy: 55 11.307313518091
Segment Energy: 56 24.964197776858
Segment Energy: 57 31.610433050512
Segment Energy: 58 18.369363513201
Segment Energy: 59 19.509911401688
Segment Energy: 60 15.100913523628
Segment Energy: 61 10.479605374834
Segment Energy: 62 10.407346833423
Segment Energy: 63 7.5881941692778
Segment Energy: 64 13.536677889862
Segment Energy: 65 13.060721448759
Segment Energy: 66 1.9048545131224
Segment Energy: 67 12.610516855939
Segment Energy: 68 16.429402709141
Segment Energy: 69 8.1005377631914
Segment Energy: 70 0.68158474957989
Segment Energy: 71 -12.424749101935
Segment Energy: 72 -19.612944089607
Segment Energy: 73 15.121392300808
Segment Energy: 74 1.4626018145976
Segment Energy: 75 10.24429249381
Segment Energy: 76 1.8998296592185
Segment Energy: 77 15.161186276668
Segment Energy: 78 14.677090826921
Segment Energy: 79 12.441867959264
Segment Energy: 80 20.205819643983
Segment Energy: 81 -30.09351912952
Segment Energy: 82 13.033913287127
Segment Energy: 83 18.781629925614
Segment Energy: 84 13.833083454753
Segment Energy: 85 26.890624126589
Segment Energy: 86 9.2555172804491
Segment Energy: 87 4.0494409672717
Segment Energy: 88 9.3042058530708
Segment Energy: 89 18.896469907725
Segment Energy: 90 6.8870361962095
Segment Energy: 91 -5.9523243716814
Segment Energy: 92 12.510739862846
Segment Energy: 93 -8.8675223483294
Segment Energy: 94 6.7972596612998
Segment Energy: 95 -18.274741880268
Segment Energy: 96 -7.4395749056612
Segment Energy: 97 -0.16417739059997
Segment Energy: 98 14.677618279
Segment Energy: 99 -8.9081709685484
Segment Energy: 100 5.1366087114482
Segment Energy: 101 -6.6689064107733
Segment Energy: 102 5.3630264078026
Segment Energy: 103 -11.751789494511
Segment Energy: 104 -11.96559332742
Segment Energy: 105 2.9996426419341
Segment Energy: 106 7.5445044285112
Segment Energy: 107 22.398271388883
Segment Energy: 108 20.538070211959
Segment Energy: 109 7.4334289606211
Segment Energy: 110 20.225506340074
Segment Energy: 111 5.6923319033168
Segment Energy: 112 17.694001556921
Segment Energy: 113 1.0420468729376
Segment Energy: 114 3.044913220811
Segment Energy: 115 32.630438121269
Segment Energy: 116 16.139128742615
Segment Energy: 117 -1.1680342734148
Segment Energy: 118 1.067796905817
Segment Energy: 119 -2.4834419496976
Segment Energy: 120 3.7460296613799
Segment Energy: 121 8.7649795654409
Segment Energy: 122 3.8744528866636
Segment Energy: 123 14.80180997814
Segment Energy: 124 6.4816453056983
Segment Energy: 125 23.13505535689
Segment Energy: 126 21.801538134256
Segment Energy: 127 21.057638880895
Segment Energy: 128 11.69841245237
Segment Energy: 129 19.223520560681
Segment Energy: 130 -5.8024871514663
Segment Energy: 131 6.707329071748
Segment Energy: 132 2.8953586693602
Segment Energy: 133 17.48666343917
Total of Segment Energies: 966.14312923137
Total Seg Energies + 8000.00: 8966.1431292314
Total Score: 8964.8212604563 difference -1.3218687750632

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Developed by: UW Center for Game Science, UW Institute for Protein Design, Northeastern University, Vanderbilt University Meiler Lab, UC Davis
Supported by: DARPA, NSF, NIH, HHMI, Amazon, Microsoft, Adobe, RosettaCommons