*** Xilanase_model1_428-522 ***
output from eigenvector calculation:
STDOUT:
CUTOFF set to default value (CUTOFF=8)
Build Tirion matrix:
Pdbmat> Computes the Hessian matrix, using an Elastic Network Model.
Pdbmat> Version 3.50, Fevrier 2004.
Pdbmat> Options to be read in pdbmat.dat file.
Pdbmat> Coordinate filename = 2404070544032760801.atom
Pdbmat> Distance cutoff = 8.00
Force constant = 10.00
Origin of mass values = CONS
Pdbmat> Levelshift = 1.0E-09
PRINTing level = 2
Pdbmat> Coordinate file 2404070544032760801.atom to be opened.
Openam> File opened: 2404070544032760801.atom
Pdbmat> Coordinate file in PDB format.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 295
First residue number = 228
Last residue number = 522
Number of atoms found = 4522
Mean number per residue = 15.3
Pdbmat> Coordinate statistics:
= 26.258471 +/- 11.914829 From: -1.011000 To: 56.269000
= -52.582151 +/- 10.268139 From: -76.128000 To: -27.813000
= 16.674627 +/- 9.551186 From: -6.366000 To: 37.167000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 3.5989 % Filled.
Pdbmat> 3311848 non-zero elements.
Pdbmat> 365014 atom-atom interactions.
Pdbmat> Number per atom= 161.44 +/- 49.99
Maximum number = 248
Minimum number = 18
Pdbmat> Matrix trace = 7.300280E+06
Pdbmat> Larger element = 882.174
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
295 non-zero elements, NRBL set to 2
Diagonalize Tirion matrix using diagrtb
Diagrtb> Diagonalizes a matrix, using the RTB/BNM approximation.
Diagrtb> Version 2.52, November 2004.
Diagrtb> Options to be read in diagrtb.dat file.
Diagrtb> Options taken into account:
MATRix filename = pdbmat.sdijb
COORdinates filename = 2404070544032760801.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 2
Origin of MASS values = CONS
MATRix FORMat = BINA
Temporary files cleaning = ALL
Output PRINting level = 2
Diagrtb> Memory allocation for Blocpdb.
Blocpdb> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.xyzm
Blocpdb> Coordinate file 2404070544032760801.atom to be opened.
Openam> file on opening on unit 11:
2404070544032760801.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 4522 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 2 residue(s) per block.
Blocpdb> 295 residues.
Blocpdb> 44 atoms in block 1
Block first atom: 1
Blocpdb> 26 atoms in block 2
Block first atom: 45
Blocpdb> 34 atoms in block 3
Block first atom: 71
Blocpdb> 27 atoms in block 4
Block first atom: 105
Blocpdb> 21 atoms in block 5
Block first atom: 132
Blocpdb> 33 atoms in block 6
Block first atom: 153
Blocpdb> 38 atoms in block 7
Block first atom: 186
Blocpdb> 38 atoms in block 8
Block first atom: 224
Blocpdb> 28 atoms in block 9
Block first atom: 262
Blocpdb> 24 atoms in block 10
Block first atom: 290
Blocpdb> 38 atoms in block 11
Block first atom: 314
Blocpdb> 35 atoms in block 12
Block first atom: 352
Blocpdb> 31 atoms in block 13
Block first atom: 387
Blocpdb> 35 atoms in block 14
Block first atom: 418
Blocpdb> 34 atoms in block 15
Block first atom: 453
Blocpdb> 30 atoms in block 16
Block first atom: 487
Blocpdb> 34 atoms in block 17
Block first atom: 517
Blocpdb> 29 atoms in block 18
Block first atom: 551
Blocpdb> 32 atoms in block 19
Block first atom: 580
Blocpdb> 46 atoms in block 20
Block first atom: 612
Blocpdb> 21 atoms in block 21
Block first atom: 658
Blocpdb> 29 atoms in block 22
Block first atom: 679
Blocpdb> 25 atoms in block 23
Block first atom: 708
Blocpdb> 24 atoms in block 24
Block first atom: 733
Blocpdb> 33 atoms in block 25
Block first atom: 757
Blocpdb> 33 atoms in block 26
Block first atom: 790
Blocpdb> 25 atoms in block 27
Block first atom: 823
Blocpdb> 22 atoms in block 28
Block first atom: 848
Blocpdb> 27 atoms in block 29
Block first atom: 870
Blocpdb> 33 atoms in block 30
Block first atom: 897
Blocpdb> 30 atoms in block 31
Block first atom: 930
Blocpdb> 44 atoms in block 32
Block first atom: 960
Blocpdb> 21 atoms in block 33
Block first atom: 1004
Blocpdb> 29 atoms in block 34
Block first atom: 1025
Blocpdb> 43 atoms in block 35
Block first atom: 1054
Blocpdb> 25 atoms in block 36
Block first atom: 1097
Blocpdb> 30 atoms in block 37
Block first atom: 1122
Blocpdb> 44 atoms in block 38
Block first atom: 1152
Blocpdb> 24 atoms in block 39
Block first atom: 1196
Blocpdb> 36 atoms in block 40
Block first atom: 1220
Blocpdb> 38 atoms in block 41
Block first atom: 1256
Blocpdb> 18 atoms in block 42
Block first atom: 1294
Blocpdb> 40 atoms in block 43
Block first atom: 1312
Blocpdb> 22 atoms in block 44
Block first atom: 1352
Blocpdb> 30 atoms in block 45
Block first atom: 1374
Blocpdb> 28 atoms in block 46
Block first atom: 1404
Blocpdb> 31 atoms in block 47
Block first atom: 1432
Blocpdb> 24 atoms in block 48
Block first atom: 1463
Blocpdb> 20 atoms in block 49
Block first atom: 1487
Blocpdb> 36 atoms in block 50
Block first atom: 1507
Blocpdb> 43 atoms in block 51
Block first atom: 1543
Blocpdb> 25 atoms in block 52
Block first atom: 1586
Blocpdb> 33 atoms in block 53
Block first atom: 1611
Blocpdb> 38 atoms in block 54
Block first atom: 1644
Blocpdb> 43 atoms in block 55
Block first atom: 1682
Blocpdb> 24 atoms in block 56
Block first atom: 1725
Blocpdb> 35 atoms in block 57
Block first atom: 1749
Blocpdb> 31 atoms in block 58
Block first atom: 1784
Blocpdb> 28 atoms in block 59
Block first atom: 1815
Blocpdb> 30 atoms in block 60
Block first atom: 1843
Blocpdb> 29 atoms in block 61
Block first atom: 1873
Blocpdb> 37 atoms in block 62
Block first atom: 1902
Blocpdb> 31 atoms in block 63
Block first atom: 1939
Blocpdb> 40 atoms in block 64
Block first atom: 1970
Blocpdb> 26 atoms in block 65
Block first atom: 2010
Blocpdb> 41 atoms in block 66
Block first atom: 2036
Blocpdb> 17 atoms in block 67
Block first atom: 2077
Blocpdb> 24 atoms in block 68
Block first atom: 2094
Blocpdb> 21 atoms in block 69
Block first atom: 2118
Blocpdb> 36 atoms in block 70
Block first atom: 2139
Blocpdb> 28 atoms in block 71
Block first atom: 2175
Blocpdb> 25 atoms in block 72
Block first atom: 2203
Blocpdb> 40 atoms in block 73
Block first atom: 2228
Blocpdb> 26 atoms in block 74
Block first atom: 2268
Blocpdb> 25 atoms in block 75
Block first atom: 2294
Blocpdb> 28 atoms in block 76
Block first atom: 2319
Blocpdb> 39 atoms in block 77
Block first atom: 2347
Blocpdb> 31 atoms in block 78
Block first atom: 2386
Blocpdb> 36 atoms in block 79
Block first atom: 2417
Blocpdb> 28 atoms in block 80
Block first atom: 2453
Blocpdb> 31 atoms in block 81
Block first atom: 2481
Blocpdb> 23 atoms in block 82
Block first atom: 2512
Blocpdb> 36 atoms in block 83
Block first atom: 2535
Blocpdb> 24 atoms in block 84
Block first atom: 2571
Blocpdb> 24 atoms in block 85
Block first atom: 2595
Blocpdb> 24 atoms in block 86
Block first atom: 2619
Blocpdb> 43 atoms in block 87
Block first atom: 2643
Blocpdb> 34 atoms in block 88
Block first atom: 2686
Blocpdb> 41 atoms in block 89
Block first atom: 2720
Blocpdb> 35 atoms in block 90
Block first atom: 2761
Blocpdb> 36 atoms in block 91
Block first atom: 2796
Blocpdb> 30 atoms in block 92
Block first atom: 2832
Blocpdb> 21 atoms in block 93
Block first atom: 2862
Blocpdb> 21 atoms in block 94
Block first atom: 2883
Blocpdb> 31 atoms in block 95
Block first atom: 2904
Blocpdb> 26 atoms in block 96
Block first atom: 2935
Blocpdb> 26 atoms in block 97
Block first atom: 2961
Blocpdb> 26 atoms in block 98
Block first atom: 2987
Blocpdb> 38 atoms in block 99
Block first atom: 3013
Blocpdb> 22 atoms in block 100
Block first atom: 3051
Blocpdb> 25 atoms in block 101
Block first atom: 3073
Blocpdb> 28 atoms in block 102
Block first atom: 3098
Blocpdb> 33 atoms in block 103
Block first atom: 3126
Blocpdb> 38 atoms in block 104
Block first atom: 3159
Blocpdb> 35 atoms in block 105
Block first atom: 3197
Blocpdb> 29 atoms in block 106
Block first atom: 3232
Blocpdb> 26 atoms in block 107
Block first atom: 3261
Blocpdb> 29 atoms in block 108
Block first atom: 3287
Blocpdb> 24 atoms in block 109
Block first atom: 3316
Blocpdb> 26 atoms in block 110
Block first atom: 3340
Blocpdb> 30 atoms in block 111
Block first atom: 3366
Blocpdb> 43 atoms in block 112
Block first atom: 3396
Blocpdb> 29 atoms in block 113
Block first atom: 3439
Blocpdb> 28 atoms in block 114
Block first atom: 3468
Blocpdb> 33 atoms in block 115
Block first atom: 3496
Blocpdb> 18 atoms in block 116
Block first atom: 3529
Blocpdb> 21 atoms in block 117
Block first atom: 3547
Blocpdb> 27 atoms in block 118
Block first atom: 3568
Blocpdb> 28 atoms in block 119
Block first atom: 3595
Blocpdb> 34 atoms in block 120
Block first atom: 3623
Blocpdb> 36 atoms in block 121
Block first atom: 3657
Blocpdb> 43 atoms in block 122
Block first atom: 3693
Blocpdb> 25 atoms in block 123
Block first atom: 3736
Blocpdb> 29 atoms in block 124
Block first atom: 3761
Blocpdb> 32 atoms in block 125
Block first atom: 3790
Blocpdb> 38 atoms in block 126
Block first atom: 3822
Blocpdb> 31 atoms in block 127
Block first atom: 3860
Blocpdb> 35 atoms in block 128
Block first atom: 3891
Blocpdb> 43 atoms in block 129
Block first atom: 3926
Blocpdb> 21 atoms in block 130
Block first atom: 3969
Blocpdb> 35 atoms in block 131
Block first atom: 3990
Blocpdb> 28 atoms in block 132
Block first atom: 4025
Blocpdb> 18 atoms in block 133
Block first atom: 4053
Blocpdb> 45 atoms in block 134
Block first atom: 4071
Blocpdb> 28 atoms in block 135
Block first atom: 4116
Blocpdb> 33 atoms in block 136
Block first atom: 4144
Blocpdb> 26 atoms in block 137
Block first atom: 4177
Blocpdb> 34 atoms in block 138
Block first atom: 4203
Blocpdb> 32 atoms in block 139
Block first atom: 4237
Blocpdb> 33 atoms in block 140
Block first atom: 4269
Blocpdb> 21 atoms in block 141
Block first atom: 4302
Blocpdb> 28 atoms in block 142
Block first atom: 4323
Blocpdb> 28 atoms in block 143
Block first atom: 4351
Blocpdb> 41 atoms in block 144
Block first atom: 4379
Blocpdb> 43 atoms in block 145
Block first atom: 4420
Blocpdb> 39 atoms in block 146
Block first atom: 4463
Blocpdb> 14 atoms in block 147
Block first atom: 4502
Blocpdb> 7 atoms in block 148
Block first atom: 4515
Blocpdb> 148 blocks.
Blocpdb> At most, 46 atoms in each of them.
Blocpdb> At least, 7 atoms in each of them.
Blocpdb> Normal end of Blocpdb.
Diagrtb> Memory allocation for Prepmat.
Diagrtb> Memory allocation for RTB.
Diagrtb> Memory allocation for Diagstd.
Diagrtb> Memory allocation for RTB_to_modes.
Prepmat> Entering in.
Prepmat> Rewriting of the matrix begins.
Prepmat> 3311996 matrix lines read.
Prepmat> Matrix order = 13566
Prepmat> Matrix trace = 7300280.0000
Prepmat> Last element read: 13566 13566 147.6547
Prepmat> 11027 lines saved.
Prepmat> 9052 empty lines.
Prepmat> Number of lines on output is as expected.
Prepmat> Normal end of Prepmat.
RTB> Entering in.
RTB> Number of atoms found in temporary coordinate file: 4522
RTB> Total mass = 4522.0000
RTB> Number of atoms found in matrix: 4522
RTB> Number of blocks = 148
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 404652.6730
RTB> 68844 non-zero elements.
RTB> Normal end of RTB.
Diagstd> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.sdijb
Diagstd> Projected matrix to be read from file: diagrtb_work.sdijb
Diagstd> CERFACS matrix format.
Diagstd> Projected matrix order = 888
Diagstd> Nb of non-zero elements: 68844
Diagstd> Projected matrix trace = 404652.6730
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 888 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 404652.6730
Diagstd> Best zero-eigenvalue found : 0.000000
Diagstd> 6 zero-eigenvalues, that is, below or equal to: 0.0000000
Diagstd> Selected eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 6.6183415 7.2239302 7.6393704 8.9223780
11.5578430 16.2440124 19.2048261 22.0980730 24.3664799
27.4175265 29.6464307 30.7225243 32.9549059 34.2476005
35.5129121 38.3203851 39.7835230 43.4666249 46.7365100
47.1599808 49.2807107 50.6954370 51.0156860 52.4343978
53.2461514 55.8665756 57.0840935 58.2864071 60.5802756
61.6373632 65.1584697 65.4895580 66.3579005 68.5594624
70.3873910 71.3640927 72.1948559 73.2130369 73.6748843
74.9891101 75.1951278 76.8714020 79.1211422 80.4951401
82.0693135 84.8661551 85.6473279 87.1567846 90.1085905
92.1454737 93.6341495 95.7449561 96.8916785 97.7041527
99.6813798 101.1262511 102.4378223 103.3177290 105.4517235
108.0364371 108.9076728 110.0865702 111.2879750 113.5016874
115.0680604 118.1981339 119.2653526 120.0039038 121.4457884
122.3162458 125.9843981 126.0521910 128.6418593 129.2231305
130.3813865 131.4864208 132.5359830 133.6577678 134.8978303
136.1546410 136.8876238 137.2774870 138.7045907 140.3580216
142.7010926 144.9274583 145.5872407 146.2375759 148.2657402
150.9790737 151.5729283 152.9915692 155.0483414 155.2339935
156.1101140 157.3076100 160.3958689 162.2184179 162.7842189
163.7896400
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034314 0.0034328 0.0034337 0.0034343 0.0034348
0.0034351 279.3636313 291.8650214 300.1401288 324.3661966
369.1761840 437.6651201 475.8833061 510.4726546 536.0331851
568.6033525 591.2640679 601.8991482 623.3835218 635.4923911
647.1253655 672.2181163 684.9311212 715.9344162 742.3751392
745.7308167 762.3137643 773.1784054 775.6166897 786.3274244
792.3907400 811.6546969 820.4513513 829.0465626 845.2027520
852.5449891 876.5581222 878.7823181 884.5891305 899.1434440
911.0510528 917.3501886 922.6742644 929.1578303 932.0839111
940.3605044 941.6513450 952.0892933 965.9208803 974.2717516
983.7521184 1000.3743407 1004.9678982 1013.7850448 1030.8094196
1042.3949143 1050.7814936 1062.5594361 1068.9035515 1073.3757805
1084.1822697 1092.0115555 1099.0702415 1103.7804715 1115.1213259
1128.7048910 1133.2468464 1139.3638894 1145.5641138 1156.9016469
1164.8571685 1180.5940505 1185.9119042 1189.5781195 1196.7033578
1200.9843602 1218.8595460 1219.1874394 1231.6475138 1234.4269914
1239.9468734 1245.1903090 1250.1501636 1255.4296522 1261.2400773
1267.1017915 1270.5079081 1272.3158586 1278.9121044 1286.5121712
1297.2059423 1307.2860239 1310.2583551 1313.1815430 1322.2564229
1334.3005300 1336.9220947 1343.1639587 1352.1623608 1352.9716464
1356.7842723 1361.9781698 1375.2823505 1383.0738211 1385.4837303
1389.7557975
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 4522
Rtb_to_modes> Number of blocs = 148
Openam> file on opening on unit 10:
diagrtb_work.eigenfacs
Openam> file on opening on unit 11:
matrix.eigenrtb
Rdmodfacs> Entering in.
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Eigenvector number: 1
Rdmodfacs> Corresponding eigenvalue: 9.9852E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9930E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9986E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0005E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0007E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 6.618
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 7.224
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 7.639
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 8.922
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 11.56
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 16.24
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 19.20
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 22.10
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 24.37
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 27.42
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 29.65
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 30.72
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 32.95
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 34.25
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 35.51
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 38.32
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 39.78
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 43.47
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 46.74
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 47.16
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 49.28
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 50.70
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 51.02
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 52.43
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 53.25
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 55.87
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 57.08
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 58.29
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 60.58
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 61.64
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 65.16
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 65.49
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 66.36
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 68.56
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 70.39
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 71.36
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 72.19
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 73.21
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 73.67
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 74.99
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 75.20
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 76.87
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 79.12
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 80.50
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 82.07
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 84.87
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 85.65
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 87.16
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 90.11
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 92.15
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 93.63
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 95.74
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 96.89
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 97.70
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 99.68
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 101.1
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 102.4
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 103.3
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 105.5
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 108.0
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 108.9
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 110.1
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 111.3
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 113.5
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 115.1
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 118.2
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 119.3
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 120.0
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 121.4
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 122.3
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 126.0
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 126.1
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 128.6
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 129.2
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 130.4
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 131.5
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 132.5
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 133.7
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 134.9
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 136.2
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 136.9
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 137.3
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 138.7
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 140.4
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 142.7
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 144.9
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 145.6
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 146.2
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 148.3
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 151.0
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 151.6
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 153.0
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 155.0
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 155.2
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 156.1
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 157.3
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 160.4
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 162.2
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 162.8
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 163.8
Rtb_to_modes> 106 vectors, with 888 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 0.99999 0.99999 1.00000 1.00000
0.99999 0.99995 1.00000 1.00004 1.00002
0.99998 1.00002 0.99996 0.99998 0.99998
0.99999 0.99999 0.99999 0.99999 1.00001
1.00001 1.00004 1.00001 1.00000 1.00000
0.99998 1.00000 1.00000 1.00001 0.99999
0.99998 0.99999 0.99998 0.99999 0.99998
0.99998 1.00000 0.99999 1.00002 1.00001
0.99998 1.00000 1.00000 1.00001 0.99999
0.99998 0.99999 1.00005 1.00002 1.00001
0.99999 0.99998 1.00001 1.00001 1.00000
1.00002 0.99999 0.99997 1.00000 0.99996
1.00000 0.99999 0.99996 1.00000 0.99998
0.99999 0.99999 1.00001 0.99999 1.00000
1.00000 0.99998 1.00001 0.99999 1.00000
1.00000 1.00000 1.00002 0.99999 0.99997
1.00000 1.00000 0.99999 0.99997 1.00002
1.00000 0.99999 0.99999 0.99999 0.99999
0.99999 1.00000 1.00000 1.00000 0.99999
1.00000 1.00000 1.00001 0.99999 1.00002
0.99999 1.00002 0.99999 0.99998 0.99999
0.99997
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 81396 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 0.99999 0.99999 1.00000 1.00000
0.99999 0.99995 1.00000 1.00004 1.00002
0.99998 1.00002 0.99996 0.99998 0.99998
0.99999 0.99999 0.99999 0.99999 1.00001
1.00001 1.00004 1.00001 1.00000 1.00000
0.99998 1.00000 1.00000 1.00001 0.99999
0.99998 0.99999 0.99998 0.99999 0.99998
0.99998 1.00000 0.99999 1.00002 1.00001
0.99998 1.00000 1.00000 1.00001 0.99999
0.99998 0.99999 1.00005 1.00002 1.00001
0.99999 0.99998 1.00001 1.00001 1.00000
1.00002 0.99999 0.99997 1.00000 0.99996
1.00000 0.99999 0.99996 1.00000 0.99998
0.99999 0.99999 1.00001 0.99999 1.00000
1.00000 0.99998 1.00001 0.99999 1.00000
1.00000 1.00000 1.00002 0.99999 0.99997
1.00000 1.00000 0.99999 0.99997 1.00002
1.00000 0.99999 0.99999 0.99999 0.99999
0.99999 1.00000 1.00000 1.00000 0.99999
1.00000 1.00000 1.00001 0.99999 1.00002
0.99999 1.00002 0.99999 0.99998 0.99999
0.99997
Orthogonality of first eigenvectors (zero expected):
Vector 2: 0.000
Vector 3: 0.000 0.000
Vector 4: 0.000 0.000 0.000
Vector 5: 0.000 0.000-0.000-0.000
Vector 6:-0.000 0.000-0.000 0.000 0.000
Vector 7: 0.000 0.000-0.000 0.000-0.000 0.000
Vector 8: 0.000-0.000-0.000 0.000-0.000-0.000-0.000
Vector 9: 0.000 0.000 0.000 0.000-0.000 0.000 0.000 0.000
Vector 10:-0.000-0.000 0.000-0.000-0.000 0.000 0.000-0.000-0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404070544032760801.eigenfacs
Openam> file on opening on unit 10:
2404070544032760801.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404070544032760801.atom
Openam> file on opening on unit 11:
2404070544032760801.atom
Getnum> Number of skipped eigenvectors ?
Getnum> 0
Getnum> Number of usefull eigenvectors ?
Getnum> 10000
%Getnum-Err: number larger than 106 This is not allowed. Sorry.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 295
First residue number = 228
Last residue number = 522
Number of atoms found = 4522
Mean number per residue = 15.3
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9852E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9930E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9986E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0005E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0007E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 6.618
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 7.224
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 7.639
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 8.922
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 11.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 16.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 19.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 22.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 24.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 27.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 29.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 30.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 32.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 34.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 35.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 38.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 39.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 43.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 46.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 47.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 49.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 50.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 51.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 52.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 53.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 55.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 57.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 58.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 60.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 61.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 65.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 65.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 66.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 68.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 70.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 71.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 72.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 73.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 73.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 74.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 75.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 76.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 79.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 80.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 82.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 84.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 85.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 87.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 90.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 92.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 93.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 95.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 96.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 97.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 99.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 101.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 102.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 103.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 105.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 108.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 108.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 110.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 111.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 113.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 115.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 118.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 119.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 120.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 121.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 122.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 126.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 126.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 128.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 129.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 130.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 131.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 132.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 133.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 134.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 136.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 136.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 137.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 138.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 140.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 142.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 144.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 145.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 146.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 148.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 151.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 151.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 153.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 155.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 155.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 156.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 157.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 160.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 162.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 162.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 163.8
Bfactors> 106 vectors, 13566 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 6.618000
Bfactors> 100 eigenvectors will be considered.
Bfactors> Rotation-Tranlation modes are skipped.
Bfactors> Mass-weighted B-factors are computed.
(CHARMM units assumed for eigenvalues)
Bfactors> Correlation= 0.541 for 295 C-alpha atoms.
Bfactors> = 0.005 +/- 0.01
Bfactors> = 1.578 +/- 0.78
Bfactors> Shiftng-fct= 1.573
Bfactors> Scaling-fct= 82.341
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404070544032760801 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404070544032760801.eigenfacs
2404070544032760801.atom
calculating perturbed structure for DQ=-80
2404070544032760801.eigenfacs
2404070544032760801.atom
calculating perturbed structure for DQ=-60
2404070544032760801.eigenfacs
2404070544032760801.atom
calculating perturbed structure for DQ=-40
2404070544032760801.eigenfacs
2404070544032760801.atom
calculating perturbed structure for DQ=-20
2404070544032760801.eigenfacs
2404070544032760801.atom
calculating perturbed structure for DQ=0
2404070544032760801.eigenfacs
2404070544032760801.atom
calculating perturbed structure for DQ=20
2404070544032760801.eigenfacs
2404070544032760801.atom
calculating perturbed structure for DQ=40
2404070544032760801.eigenfacs
2404070544032760801.atom
calculating perturbed structure for DQ=60
2404070544032760801.eigenfacs
2404070544032760801.atom
calculating perturbed structure for DQ=80
2404070544032760801.eigenfacs
2404070544032760801.atom
calculating perturbed structure for DQ=100
2404070544032760801.eigenfacs
2404070544032760801.atom
making animated gifs
11 models are in 2404070544032760801.7.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404070544032760801.7.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404070544032760801.7.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 8
running: ../../bin/get_modes.sh 2404070544032760801 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404070544032760801.eigenfacs
2404070544032760801.atom
calculating perturbed structure for DQ=-80
2404070544032760801.eigenfacs
2404070544032760801.atom
calculating perturbed structure for DQ=-60
2404070544032760801.eigenfacs
2404070544032760801.atom
calculating perturbed structure for DQ=-40
2404070544032760801.eigenfacs
2404070544032760801.atom
calculating perturbed structure for DQ=-20
2404070544032760801.eigenfacs
2404070544032760801.atom
calculating perturbed structure for DQ=0
2404070544032760801.eigenfacs
2404070544032760801.atom
calculating perturbed structure for DQ=20
2404070544032760801.eigenfacs
2404070544032760801.atom
calculating perturbed structure for DQ=40
2404070544032760801.eigenfacs
2404070544032760801.atom
calculating perturbed structure for DQ=60
2404070544032760801.eigenfacs
2404070544032760801.atom
calculating perturbed structure for DQ=80
2404070544032760801.eigenfacs
2404070544032760801.atom
calculating perturbed structure for DQ=100
2404070544032760801.eigenfacs
2404070544032760801.atom
making animated gifs
11 models are in 2404070544032760801.8.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404070544032760801.8.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404070544032760801.8.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 9
running: ../../bin/get_modes.sh 2404070544032760801 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404070544032760801.eigenfacs
2404070544032760801.atom
calculating perturbed structure for DQ=-80
2404070544032760801.eigenfacs
2404070544032760801.atom
calculating perturbed structure for DQ=-60
2404070544032760801.eigenfacs
2404070544032760801.atom
calculating perturbed structure for DQ=-40
2404070544032760801.eigenfacs
2404070544032760801.atom
calculating perturbed structure for DQ=-20
2404070544032760801.eigenfacs
2404070544032760801.atom
calculating perturbed structure for DQ=0
2404070544032760801.eigenfacs
2404070544032760801.atom
calculating perturbed structure for DQ=20
2404070544032760801.eigenfacs
2404070544032760801.atom
calculating perturbed structure for DQ=40
2404070544032760801.eigenfacs
2404070544032760801.atom
calculating perturbed structure for DQ=60
2404070544032760801.eigenfacs
2404070544032760801.atom
calculating perturbed structure for DQ=80
2404070544032760801.eigenfacs
2404070544032760801.atom
calculating perturbed structure for DQ=100
2404070544032760801.eigenfacs
2404070544032760801.atom
making animated gifs
11 models are in 2404070544032760801.9.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404070544032760801.9.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404070544032760801.9.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 10
running: ../../bin/get_modes.sh 2404070544032760801 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404070544032760801.eigenfacs
2404070544032760801.atom
calculating perturbed structure for DQ=-80
2404070544032760801.eigenfacs
2404070544032760801.atom
calculating perturbed structure for DQ=-60
2404070544032760801.eigenfacs
2404070544032760801.atom
calculating perturbed structure for DQ=-40
2404070544032760801.eigenfacs
2404070544032760801.atom
calculating perturbed structure for DQ=-20
2404070544032760801.eigenfacs
2404070544032760801.atom
calculating perturbed structure for DQ=0
2404070544032760801.eigenfacs
2404070544032760801.atom
calculating perturbed structure for DQ=20
2404070544032760801.eigenfacs
2404070544032760801.atom
calculating perturbed structure for DQ=40
2404070544032760801.eigenfacs
2404070544032760801.atom
calculating perturbed structure for DQ=60
2404070544032760801.eigenfacs
2404070544032760801.atom
calculating perturbed structure for DQ=80
2404070544032760801.eigenfacs
2404070544032760801.atom
calculating perturbed structure for DQ=100
2404070544032760801.eigenfacs
2404070544032760801.atom
making animated gifs
11 models are in 2404070544032760801.10.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404070544032760801.10.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404070544032760801.10.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 11
running: ../../bin/get_modes.sh 2404070544032760801 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404070544032760801.eigenfacs
2404070544032760801.atom
calculating perturbed structure for DQ=-80
2404070544032760801.eigenfacs
2404070544032760801.atom
calculating perturbed structure for DQ=-60
2404070544032760801.eigenfacs
2404070544032760801.atom
calculating perturbed structure for DQ=-40
2404070544032760801.eigenfacs
2404070544032760801.atom
calculating perturbed structure for DQ=-20
2404070544032760801.eigenfacs
2404070544032760801.atom
calculating perturbed structure for DQ=0
2404070544032760801.eigenfacs
2404070544032760801.atom
calculating perturbed structure for DQ=20
2404070544032760801.eigenfacs
2404070544032760801.atom
calculating perturbed structure for DQ=40
2404070544032760801.eigenfacs
2404070544032760801.atom
calculating perturbed structure for DQ=60
2404070544032760801.eigenfacs
2404070544032760801.atom
calculating perturbed structure for DQ=80
2404070544032760801.eigenfacs
2404070544032760801.atom
calculating perturbed structure for DQ=100
2404070544032760801.eigenfacs
2404070544032760801.atom
making animated gifs
11 models are in 2404070544032760801.11.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404070544032760801.11.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404070544032760801.11.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
2404070544032760801.10.pdb
2404070544032760801.11.pdb
2404070544032760801.7.pdb
2404070544032760801.8.pdb
2404070544032760801.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m17.488s
user 0m17.368s
sys 0m0.120s
../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory
mv: cannot stat 'Chkmod.res': No such file or directory
cat: 2404070544032760801.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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