*** SUGAR BINDING PROTEIN 10-SEP-10 2XR5 ***
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 = 240511163828700048.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 240511163828700048.atom to be opened.
Openam> File opened: 240511163828700048.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 = 131
First residue number = 254
Last residue number = 384
Number of atoms found = 1188
Mean number per residue = 9.1
Pdbmat> Coordinate statistics:
= 3.421363 +/- 7.137529 From: -12.486000 To: 20.613000
= 17.634443 +/- 7.600483 From: -2.144000 To: 35.902000
= 11.826061 +/- 9.401349 From: -12.492000 To: 32.236000
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 7.6077 % Filled.
Pdbmat> 483306 non-zero elements.
Pdbmat> 52917 atom-atom interactions.
Pdbmat> Number per atom= 89.09 +/- 27.23
Maximum number = 147
Minimum number = 12
Pdbmat> Matrix trace = 1.058340E+06
Pdbmat> Larger element = 528.651
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
131 non-zero elements, NRBL set to 1
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 = 240511163828700048.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 1
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 240511163828700048.atom to be opened.
Openam> file on opening on unit 11:
240511163828700048.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 1188 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 1 residue(s) per block.
Blocpdb> 131 residues.
Blocpdb> 10 atoms in block 1
Block first atom: 1
Blocpdb> 7 atoms in block 2
Block first atom: 11
Blocpdb> 6 atoms in block 3
Block first atom: 18
Blocpdb> 7 atoms in block 4
Block first atom: 24
Blocpdb> 25 atoms in block 5
Block first atom: 31
Blocpdb> 18 atoms in block 6
Block first atom: 56
Blocpdb> 14 atoms in block 7
Block first atom: 74
Blocpdb> 7 atoms in block 8
Block first atom: 88
Blocpdb> 11 atoms in block 9
Block first atom: 95
Blocpdb> 11 atoms in block 10
Block first atom: 106
Blocpdb> 9 atoms in block 11
Block first atom: 117
Blocpdb> 4 atoms in block 12
Block first atom: 126
Blocpdb> 8 atoms in block 13
Block first atom: 130
Blocpdb> 9 atoms in block 14
Block first atom: 138
Blocpdb> 12 atoms in block 15
Block first atom: 147
Blocpdb> 11 atoms in block 16
Block first atom: 159
Blocpdb> 13 atoms in block 17
Block first atom: 170
Blocpdb> 6 atoms in block 18
Block first atom: 183
Blocpdb> 13 atoms in block 19
Block first atom: 189
Blocpdb> 6 atoms in block 20
Block first atom: 202
Blocpdb> 9 atoms in block 21
Block first atom: 208
Blocpdb> 11 atoms in block 22
Block first atom: 217
Blocpdb> 8 atoms in block 23
Block first atom: 228
Blocpdb> 14 atoms in block 24
Block first atom: 236
Blocpdb> 10 atoms in block 25
Block first atom: 250
Blocpdb> 8 atoms in block 26
Block first atom: 260
Blocpdb> 6 atoms in block 27
Block first atom: 268
Blocpdb> 8 atoms in block 28
Block first atom: 274
Blocpdb> 7 atoms in block 29
Block first atom: 282
Blocpdb> 5 atoms in block 30
Block first atom: 289
Blocpdb> 6 atoms in block 31
Block first atom: 294
Blocpdb> 9 atoms in block 32
Block first atom: 300
Blocpdb> 15 atoms in block 33
Block first atom: 309
Blocpdb> 7 atoms in block 34
Block first atom: 324
Blocpdb> 4 atoms in block 35
Block first atom: 331
Blocpdb> 5 atoms in block 36
Block first atom: 335
Blocpdb> 9 atoms in block 37
Block first atom: 340
Blocpdb> 8 atoms in block 38
Block first atom: 349
Blocpdb> 7 atoms in block 39
Block first atom: 357
Blocpdb> 7 atoms in block 40
Block first atom: 364
Blocpdb> 13 atoms in block 41
Block first atom: 371
Blocpdb> 9 atoms in block 42
Block first atom: 384
Blocpdb> 6 atoms in block 43
Block first atom: 393
Blocpdb> 5 atoms in block 44
Block first atom: 399
Blocpdb> 15 atoms in block 45
Block first atom: 404
Blocpdb> 9 atoms in block 46
Block first atom: 419
Blocpdb> 9 atoms in block 47
Block first atom: 428
Blocpdb> 8 atoms in block 48
Block first atom: 437
Blocpdb> 11 atoms in block 49
Block first atom: 445
Blocpdb> 8 atoms in block 50
Block first atom: 456
Blocpdb> 9 atoms in block 51
Block first atom: 464
Blocpdb> 8 atoms in block 52
Block first atom: 473
Blocpdb> 9 atoms in block 53
Block first atom: 481
Blocpdb> 9 atoms in block 54
Block first atom: 490
Blocpdb> 9 atoms in block 55
Block first atom: 499
Blocpdb> 11 atoms in block 56
Block first atom: 508
Blocpdb> 9 atoms in block 57
Block first atom: 519
Blocpdb> 13 atoms in block 58
Block first atom: 528
Blocpdb> 19 atoms in block 59
Block first atom: 541
Blocpdb> 11 atoms in block 60
Block first atom: 560
Blocpdb> 7 atoms in block 61
Block first atom: 571
Blocpdb> 14 atoms in block 62
Block first atom: 578
Blocpdb> 8 atoms in block 63
Block first atom: 592
Blocpdb> 4 atoms in block 64
Block first atom: 600
Blocpdb> 8 atoms in block 65
Block first atom: 604
Blocpdb> 9 atoms in block 66
Block first atom: 612
Blocpdb> 8 atoms in block 67
Block first atom: 621
Blocpdb> 8 atoms in block 68
Block first atom: 629
Blocpdb> 13 atoms in block 69
Block first atom: 637
Blocpdb> 9 atoms in block 70
Block first atom: 650
Blocpdb> 9 atoms in block 71
Block first atom: 659
Blocpdb> 4 atoms in block 72
Block first atom: 668
Blocpdb> 7 atoms in block 73
Block first atom: 672
Blocpdb> 14 atoms in block 74
Block first atom: 679
Blocpdb> 15 atoms in block 75
Block first atom: 693
Blocpdb> 14 atoms in block 76
Block first atom: 708
Blocpdb> 7 atoms in block 77
Block first atom: 722
Blocpdb> 8 atoms in block 78
Block first atom: 729
Blocpdb> 4 atoms in block 79
Block first atom: 737
Blocpdb> 9 atoms in block 80
Block first atom: 741
Blocpdb> 7 atoms in block 81
Block first atom: 750
Blocpdb> 8 atoms in block 82
Block first atom: 757
Blocpdb> 8 atoms in block 83
Block first atom: 765
Blocpdb> 7 atoms in block 84
Block first atom: 773
Blocpdb> 6 atoms in block 85
Block first atom: 780
Blocpdb> 19 atoms in block 86
Block first atom: 786
Blocpdb> 9 atoms in block 87
Block first atom: 805
Blocpdb> 15 atoms in block 88
Block first atom: 814
Blocpdb> 12 atoms in block 89
Block first atom: 829
Blocpdb> 14 atoms in block 90
Block first atom: 841
Blocpdb> 8 atoms in block 91
Block first atom: 855
Blocpdb> 11 atoms in block 92
Block first atom: 863
Blocpdb> 4 atoms in block 93
Block first atom: 874
Blocpdb> 9 atoms in block 94
Block first atom: 878
Blocpdb> 7 atoms in block 95
Block first atom: 887
Blocpdb> 8 atoms in block 96
Block first atom: 894
Blocpdb> 8 atoms in block 97
Block first atom: 902
Blocpdb> 11 atoms in block 98
Block first atom: 910
Blocpdb> 4 atoms in block 99
Block first atom: 921
Blocpdb> 9 atoms in block 100
Block first atom: 925
Blocpdb> 9 atoms in block 101
Block first atom: 934
Blocpdb> 8 atoms in block 102
Block first atom: 943
Blocpdb> 6 atoms in block 103
Block first atom: 951
Blocpdb> 5 atoms in block 104
Block first atom: 957
Blocpdb> 9 atoms in block 105
Block first atom: 962
Blocpdb> 11 atoms in block 106
Block first atom: 971
Blocpdb> 6 atoms in block 107
Block first atom: 982
Blocpdb> 4 atoms in block 108
Block first atom: 988
Blocpdb> 8 atoms in block 109
Block first atom: 992
Blocpdb> 4 atoms in block 110
Block first atom: 1000
Blocpdb> 14 atoms in block 111
Block first atom: 1004
Blocpdb> 8 atoms in block 112
Block first atom: 1018
Blocpdb> 8 atoms in block 113
Block first atom: 1026
Blocpdb> 8 atoms in block 114
Block first atom: 1034
Blocpdb> 9 atoms in block 115
Block first atom: 1042
Blocpdb> 12 atoms in block 116
Block first atom: 1051
Blocpdb> 8 atoms in block 117
Block first atom: 1063
Blocpdb> 13 atoms in block 118
Block first atom: 1071
Blocpdb> 5 atoms in block 119
Block first atom: 1084
Blocpdb> 9 atoms in block 120
Block first atom: 1089
Blocpdb> 11 atoms in block 121
Block first atom: 1098
Blocpdb> 14 atoms in block 122
Block first atom: 1109
Blocpdb> 8 atoms in block 123
Block first atom: 1123
Blocpdb> 9 atoms in block 124
Block first atom: 1131
Blocpdb> 9 atoms in block 125
Block first atom: 1140
Blocpdb> 9 atoms in block 126
Block first atom: 1149
Blocpdb> 9 atoms in block 127
Block first atom: 1158
Blocpdb> 5 atoms in block 128
Block first atom: 1167
Blocpdb> 5 atoms in block 129
Block first atom: 1172
Blocpdb> 6 atoms in block 130
Block first atom: 1177
Blocpdb> 6 atoms in block 131
Block first atom: 1182
Blocpdb> 131 blocks.
Blocpdb> At most, 25 atoms in each of them.
Blocpdb> At least, 4 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> 483437 matrix lines read.
Prepmat> Matrix order = 3564
Prepmat> Matrix trace = 1058340.0000
Prepmat> Last element read: 3564 3564 304.6904
Prepmat> 8647 lines saved.
Prepmat> 6997 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: 1188
RTB> Total mass = 1188.0000
RTB> Number of atoms found in matrix: 1188
RTB> Number of blocks = 131
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 212560.1681
RTB> 57399 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 = 786
Diagstd> Nb of non-zero elements: 57399
Diagstd> Projected matrix trace = 212560.1681
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 786 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 212560.1681
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 4.6147939 5.4975686 6.5016671 9.0071851
12.4737213 13.4566104 13.8569952 16.3918647 18.7797006
19.1869844 20.0339185 22.2185601 22.6620288 24.3086597
24.5252090 27.0078146 27.7321695 29.5474787 31.4145889
32.2253156 33.0580733 34.2072357 34.5050575 36.3632292
37.2106650 38.3788476 39.4644654 40.2499043 41.5252872
42.8581389 43.7838799 45.9611869 46.3049584 47.7681347
48.4965593 50.4961185 51.4399261 51.7563294 54.3913312
55.8346105 57.2292899 58.6916124 60.2369667 62.4557455
62.8946294 64.6223337 64.8294705 66.8275272 68.0249057
68.6634753 68.9073738 70.0385856 71.4167163 72.4025387
72.8082644 73.8938128 75.1151703 75.4019406 78.1138213
78.2047216 79.6351759 80.3393398 81.0851323 81.8863940
83.3167223 84.4459284 84.7526580 86.2722894 86.8455094
87.0305912 89.0194040 89.8485497 90.5400622 90.6509575
92.4907670 93.9614220 94.4933511 96.0943853 96.5698663
97.7951785 100.2610336 100.6474448 101.2786632 102.1481349
104.2522838 106.2580749 106.8978908 107.1795172 107.9462350
108.8226875 109.1768238 110.0715006 110.8716479 112.0633747
112.9030189 113.6188115 114.6321698 115.4001545 116.7151339
117.2960204
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034318 0.0034327 0.0034328 0.0034334 0.0034344
0.0034352 233.2767395 254.6130214 276.8902376 325.9040992
383.5246644 398.3484385 404.2311835 439.6524131 470.5866603
475.6622020 486.0469600 511.8624080 516.9453989 535.3968198
537.7762749 564.3389192 571.8566859 590.2765009 608.6406719
616.4443412 624.3585304 635.1177790 637.8765809 654.8268852
662.4132270 672.7306974 682.1790723 688.9341394 699.7640105
710.9055985 718.5424034 736.1916680 738.9397503 750.5237184
756.2245008 771.6569613 778.8349788 781.2265861 800.8664939
811.4224618 821.4941192 831.9233241 842.8044641 858.1861050
861.1961137 872.9444319 874.3423557 887.7138097 895.6312830
899.8252394 901.4219510 908.7908877 917.6883517 924.0004387
926.5857559 933.4677502 941.1505671 942.9453909 959.7524341
960.3106988 969.0534946 973.3284315 977.8357140 982.6551928
991.2001713 997.8945198 999.7051837 1008.6278180 1011.9730893
1013.0508540 1024.5605308 1029.3209591 1033.2744118 1033.9070057
1044.3461519 1052.6162507 1055.5915521 1064.4966200 1067.1269682
1073.8756678 1087.3299962 1089.4232941 1092.8341565 1097.5150917
1108.7613259 1119.3766724 1122.7416878 1124.2196670 1128.2336016
1132.8045997 1134.6463177 1139.2859037 1143.4193342 1149.5480490
1153.8465544 1157.4984051 1162.6487705 1166.5368852 1173.1643752
1176.0801479
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 1188
Rtb_to_modes> Number of blocs = 131
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: 9.9873E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9926E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9933E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9965E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0007E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 4.615
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 5.498
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 6.502
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 9.007
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 12.47
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 13.46
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 13.86
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 16.39
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 18.78
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 19.19
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 20.03
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 22.22
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 22.66
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 24.31
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 24.53
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 27.01
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 27.73
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 29.55
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 31.41
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 32.23
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 33.06
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 34.21
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 34.51
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 36.36
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 37.21
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 38.38
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 39.46
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 40.25
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 41.53
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 42.86
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 43.78
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 45.96
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 46.30
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 47.77
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 48.50
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 50.50
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 51.44
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 51.76
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 54.39
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 55.83
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 57.23
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 58.69
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 60.24
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 62.46
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 62.89
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 64.62
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 64.83
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 66.83
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 68.02
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 68.66
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 68.91
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 70.04
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 71.42
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 72.40
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 72.81
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 73.89
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 75.12
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 75.40
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 78.11
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 78.20
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 79.64
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 80.34
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 81.09
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 81.89
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 83.32
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 84.45
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 84.75
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 86.27
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 86.85
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 87.03
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 89.02
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 89.85
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 90.54
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 90.65
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 92.49
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 93.96
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 94.49
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 96.09
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 96.57
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 97.80
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 100.3
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 100.6
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 101.3
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 102.1
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 104.3
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 106.3
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 106.9
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 107.2
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 107.9
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 108.8
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 109.2
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 110.1
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 110.9
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 112.1
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 112.9
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 113.6
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 114.6
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 115.4
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 116.7
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 117.3
Rtb_to_modes> 106 vectors, with 786 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00001 0.99999 1.00000 1.00001 0.99999
1.00001 0.99999 1.00000 1.00002 1.00004
1.00003 0.99996 1.00000 0.99998 1.00001
1.00000 0.99998 0.99999 0.99999 1.00003
1.00000 1.00003 0.99998 1.00000 0.99999
1.00001 1.00001 1.00001 1.00001 1.00000
1.00002 1.00001 1.00000 1.00002 1.00002
0.99999 0.99997 0.99997 0.99999 1.00000
0.99999 0.99999 0.99999 1.00000 1.00000
1.00001 0.99998 1.00001 0.99999 0.99999
0.99999 1.00000 1.00003 1.00002 1.00003
1.00000 1.00001 0.99997 0.99999 0.99998
1.00001 1.00004 1.00003 0.99999 0.99999
1.00000 0.99998 1.00000 1.00003 1.00000
0.99998 1.00000 1.00000 1.00003 1.00001
1.00003 0.99999 1.00001 1.00000 1.00001
1.00001 1.00003 1.00000 1.00000 0.99998
1.00002 0.99999 0.99998 1.00002 0.99998
1.00001 1.00000 0.99999 1.00000 1.00002
0.99997 1.00002 0.99999 1.00002 1.00002
0.99999 1.00000 0.99999 1.00001 0.99999
0.99998
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 21384 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00001 0.99999 1.00000 1.00001 0.99999
1.00001 0.99999 1.00000 1.00002 1.00004
1.00003 0.99996 1.00000 0.99998 1.00001
1.00000 0.99998 0.99999 0.99999 1.00003
1.00000 1.00003 0.99998 1.00000 0.99999
1.00001 1.00001 1.00001 1.00001 1.00000
1.00002 1.00001 1.00000 1.00002 1.00002
0.99999 0.99997 0.99997 0.99999 1.00000
0.99999 0.99999 0.99999 1.00000 1.00000
1.00001 0.99998 1.00001 0.99999 0.99999
0.99999 1.00000 1.00003 1.00002 1.00003
1.00000 1.00001 0.99997 0.99999 0.99998
1.00001 1.00004 1.00003 0.99999 0.99999
1.00000 0.99998 1.00000 1.00003 1.00000
0.99998 1.00000 1.00000 1.00003 1.00001
1.00003 0.99999 1.00001 1.00000 1.00001
1.00001 1.00003 1.00000 1.00000 0.99998
1.00002 0.99999 0.99998 1.00002 0.99998
1.00001 1.00000 0.99999 1.00000 1.00002
0.99997 1.00002 0.99999 1.00002 1.00002
0.99999 1.00000 0.99999 1.00001 0.99999
0.99998
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> 240511163828700048.eigenfacs
Openam> file on opening on unit 10:
240511163828700048.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240511163828700048.atom
Openam> file on opening on unit 11:
240511163828700048.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 = 131
First residue number = 254
Last residue number = 384
Number of atoms found = 1188
Mean number per residue = 9.1
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9873E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9926E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9933E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9965E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-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: 4.615
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 5.498
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 6.502
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 9.007
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 12.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 13.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 13.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 16.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 18.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 19.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 20.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 22.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 22.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 24.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 24.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 27.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 27.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 29.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 31.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 32.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 33.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 34.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 34.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 36.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 37.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 38.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 39.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 40.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 41.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 42.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 43.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 45.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 46.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 47.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 48.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 50.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 51.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 51.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 54.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 55.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 57.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 58.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 60.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 62.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 62.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 64.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 64.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 66.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 68.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 68.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 68.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 70.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 71.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 72.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 72.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 73.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 75.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 75.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 78.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 78.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 79.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 80.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 81.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 81.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 83.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 84.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 84.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 86.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 86.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 87.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 89.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 89.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 90.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 90.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 92.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 93.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 94.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 96.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 96.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 97.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 100.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 100.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 101.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 102.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 104.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 106.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 106.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 107.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 107.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 108.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 109.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 110.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 110.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 112.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 112.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 113.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 114.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 115.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 116.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 117.3
Bfactors> 106 vectors, 3564 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 : 4.615000
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= 0.518 for 156 C-alpha atoms.
Bfactors> = 0.024 +/- 0.03
Bfactors> = 9.282 +/- 4.84
Bfactors> Shiftng-fct= 9.258
Bfactors> Scaling-fct= 157.283
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240511163828700048 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240511163828700048.eigenfacs
240511163828700048.atom
calculating perturbed structure for DQ=-80
240511163828700048.eigenfacs
240511163828700048.atom
calculating perturbed structure for DQ=-60
240511163828700048.eigenfacs
240511163828700048.atom
calculating perturbed structure for DQ=-40
240511163828700048.eigenfacs
240511163828700048.atom
calculating perturbed structure for DQ=-20
240511163828700048.eigenfacs
240511163828700048.atom
calculating perturbed structure for DQ=0
240511163828700048.eigenfacs
240511163828700048.atom
calculating perturbed structure for DQ=20
240511163828700048.eigenfacs
240511163828700048.atom
calculating perturbed structure for DQ=40
240511163828700048.eigenfacs
240511163828700048.atom
calculating perturbed structure for DQ=60
240511163828700048.eigenfacs
240511163828700048.atom
calculating perturbed structure for DQ=80
240511163828700048.eigenfacs
240511163828700048.atom
calculating perturbed structure for DQ=100
240511163828700048.eigenfacs
240511163828700048.atom
making animated gifs
11 models are in 240511163828700048.7.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 240511163828700048.7.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 240511163828700048.7.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 240511163828700048 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240511163828700048.eigenfacs
240511163828700048.atom
calculating perturbed structure for DQ=-80
240511163828700048.eigenfacs
240511163828700048.atom
calculating perturbed structure for DQ=-60
240511163828700048.eigenfacs
240511163828700048.atom
calculating perturbed structure for DQ=-40
240511163828700048.eigenfacs
240511163828700048.atom
calculating perturbed structure for DQ=-20
240511163828700048.eigenfacs
240511163828700048.atom
calculating perturbed structure for DQ=0
240511163828700048.eigenfacs
240511163828700048.atom
calculating perturbed structure for DQ=20
240511163828700048.eigenfacs
240511163828700048.atom
calculating perturbed structure for DQ=40
240511163828700048.eigenfacs
240511163828700048.atom
calculating perturbed structure for DQ=60
240511163828700048.eigenfacs
240511163828700048.atom
calculating perturbed structure for DQ=80
240511163828700048.eigenfacs
240511163828700048.atom
calculating perturbed structure for DQ=100
240511163828700048.eigenfacs
240511163828700048.atom
making animated gifs
11 models are in 240511163828700048.8.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 240511163828700048.8.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 240511163828700048.8.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 240511163828700048 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240511163828700048.eigenfacs
240511163828700048.atom
calculating perturbed structure for DQ=-80
240511163828700048.eigenfacs
240511163828700048.atom
calculating perturbed structure for DQ=-60
240511163828700048.eigenfacs
240511163828700048.atom
calculating perturbed structure for DQ=-40
240511163828700048.eigenfacs
240511163828700048.atom
calculating perturbed structure for DQ=-20
240511163828700048.eigenfacs
240511163828700048.atom
calculating perturbed structure for DQ=0
240511163828700048.eigenfacs
240511163828700048.atom
calculating perturbed structure for DQ=20
240511163828700048.eigenfacs
240511163828700048.atom
calculating perturbed structure for DQ=40
240511163828700048.eigenfacs
240511163828700048.atom
calculating perturbed structure for DQ=60
240511163828700048.eigenfacs
240511163828700048.atom
calculating perturbed structure for DQ=80
240511163828700048.eigenfacs
240511163828700048.atom
calculating perturbed structure for DQ=100
240511163828700048.eigenfacs
240511163828700048.atom
making animated gifs
11 models are in 240511163828700048.9.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 240511163828700048.9.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 240511163828700048.9.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 240511163828700048 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240511163828700048.eigenfacs
240511163828700048.atom
calculating perturbed structure for DQ=-80
240511163828700048.eigenfacs
240511163828700048.atom
calculating perturbed structure for DQ=-60
240511163828700048.eigenfacs
240511163828700048.atom
calculating perturbed structure for DQ=-40
240511163828700048.eigenfacs
240511163828700048.atom
calculating perturbed structure for DQ=-20
240511163828700048.eigenfacs
240511163828700048.atom
calculating perturbed structure for DQ=0
240511163828700048.eigenfacs
240511163828700048.atom
calculating perturbed structure for DQ=20
240511163828700048.eigenfacs
240511163828700048.atom
calculating perturbed structure for DQ=40
240511163828700048.eigenfacs
240511163828700048.atom
calculating perturbed structure for DQ=60
240511163828700048.eigenfacs
240511163828700048.atom
calculating perturbed structure for DQ=80
240511163828700048.eigenfacs
240511163828700048.atom
calculating perturbed structure for DQ=100
240511163828700048.eigenfacs
240511163828700048.atom
making animated gifs
11 models are in 240511163828700048.10.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 240511163828700048.10.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 240511163828700048.10.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 240511163828700048 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240511163828700048.eigenfacs
240511163828700048.atom
calculating perturbed structure for DQ=-80
240511163828700048.eigenfacs
240511163828700048.atom
calculating perturbed structure for DQ=-60
240511163828700048.eigenfacs
240511163828700048.atom
calculating perturbed structure for DQ=-40
240511163828700048.eigenfacs
240511163828700048.atom
calculating perturbed structure for DQ=-20
240511163828700048.eigenfacs
240511163828700048.atom
calculating perturbed structure for DQ=0
240511163828700048.eigenfacs
240511163828700048.atom
calculating perturbed structure for DQ=20
240511163828700048.eigenfacs
240511163828700048.atom
calculating perturbed structure for DQ=40
240511163828700048.eigenfacs
240511163828700048.atom
calculating perturbed structure for DQ=60
240511163828700048.eigenfacs
240511163828700048.atom
calculating perturbed structure for DQ=80
240511163828700048.eigenfacs
240511163828700048.atom
calculating perturbed structure for DQ=100
240511163828700048.eigenfacs
240511163828700048.atom
making animated gifs
11 models are in 240511163828700048.11.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 240511163828700048.11.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 240511163828700048.11.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
240511163828700048.10.pdb
240511163828700048.11.pdb
240511163828700048.7.pdb
240511163828700048.8.pdb
240511163828700048.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m7.260s
user 0m7.248s
sys 0m0.012s
../../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: 240511163828700048.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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