*** SUGAR BINDING PROTEIN 09-MAY-18 6GHV ***
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 = 2404061749242688586.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 2404061749242688586.atom to be opened.
Openam> File opened: 2404061749242688586.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 = 265
First residue number = 253
Last residue number = 384
Number of atoms found = 2186
Mean number per residue = 8.2
Pdbmat> Coordinate statistics:
= -11.009471 +/- 7.626345 From: -31.229000 To: 9.293000
= -3.361722 +/- 14.250793 From: -31.762000 To: 26.096000
= 54.048464 +/- 12.624613 From: 18.385000 To: 90.114000
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 3.8655 % Filled.
Pdbmat> 831345 non-zero elements.
Pdbmat> 90931 atom-atom interactions.
Pdbmat> Number per atom= 83.19 +/- 26.36
Maximum number = 141
Minimum number = 11
Pdbmat> Matrix trace = 1.818620E+06
Pdbmat> Larger element = 502.777
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
265 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 = 2404061749242688586.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 2404061749242688586.atom to be opened.
Openam> file on opening on unit 11:
2404061749242688586.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 2186 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> 265 residues.
Blocpdb> 16 atoms in block 1
Block first atom: 1
Blocpdb> 13 atoms in block 2
Block first atom: 17
Blocpdb> 21 atoms in block 3
Block first atom: 30
Blocpdb> 23 atoms in block 4
Block first atom: 51
Blocpdb> 18 atoms in block 5
Block first atom: 74
Blocpdb> 20 atoms in block 6
Block first atom: 92
Blocpdb> 12 atoms in block 7
Block first atom: 112
Blocpdb> 18 atoms in block 8
Block first atom: 124
Blocpdb> 19 atoms in block 9
Block first atom: 142
Blocpdb> 19 atoms in block 10
Block first atom: 161
Blocpdb> 15 atoms in block 11
Block first atom: 180
Blocpdb> 19 atoms in block 12
Block first atom: 195
Blocpdb> 24 atoms in block 13
Block first atom: 214
Blocpdb> 14 atoms in block 14
Block first atom: 238
Blocpdb> 15 atoms in block 15
Block first atom: 252
Blocpdb> 11 atoms in block 16
Block first atom: 267
Blocpdb> 18 atoms in block 17
Block first atom: 278
Blocpdb> 11 atoms in block 18
Block first atom: 296
Blocpdb> 20 atoms in block 19
Block first atom: 307
Blocpdb> 15 atoms in block 20
Block first atom: 327
Blocpdb> 15 atoms in block 21
Block first atom: 342
Blocpdb> 15 atoms in block 22
Block first atom: 357
Blocpdb> 20 atoms in block 23
Block first atom: 372
Blocpdb> 18 atoms in block 24
Block first atom: 392
Blocpdb> 19 atoms in block 25
Block first atom: 410
Blocpdb> 17 atoms in block 26
Block first atom: 429
Blocpdb> 17 atoms in block 27
Block first atom: 446
Blocpdb> 12 atoms in block 28
Block first atom: 463
Blocpdb> 17 atoms in block 29
Block first atom: 475
Blocpdb> 19 atoms in block 30
Block first atom: 492
Blocpdb> 18 atoms in block 31
Block first atom: 511
Blocpdb> 22 atoms in block 32
Block first atom: 529
Blocpdb> 12 atoms in block 33
Block first atom: 551
Blocpdb> 14 atoms in block 34
Block first atom: 563
Blocpdb> 21 atoms in block 35
Block first atom: 577
Blocpdb> 18 atoms in block 36
Block first atom: 598
Blocpdb> 11 atoms in block 37
Block first atom: 616
Blocpdb> 23 atoms in block 38
Block first atom: 627
Blocpdb> 21 atoms in block 39
Block first atom: 650
Blocpdb> 12 atoms in block 40
Block first atom: 671
Blocpdb> 13 atoms in block 41
Block first atom: 683
Blocpdb> 16 atoms in block 42
Block first atom: 696
Blocpdb> 13 atoms in block 43
Block first atom: 712
Blocpdb> 20 atoms in block 44
Block first atom: 725
Blocpdb> 21 atoms in block 45
Block first atom: 745
Blocpdb> 22 atoms in block 46
Block first atom: 766
Blocpdb> 15 atoms in block 47
Block first atom: 788
Blocpdb> 16 atoms in block 48
Block first atom: 803
Blocpdb> 16 atoms in block 49
Block first atom: 819
Blocpdb> 11 atoms in block 50
Block first atom: 835
Blocpdb> 18 atoms in block 51
Block first atom: 846
Blocpdb> 14 atoms in block 52
Block first atom: 864
Blocpdb> 14 atoms in block 53
Block first atom: 878
Blocpdb> 17 atoms in block 54
Block first atom: 892
Blocpdb> 12 atoms in block 55
Block first atom: 909
Blocpdb> 18 atoms in block 56
Block first atom: 921
Blocpdb> 16 atoms in block 57
Block first atom: 939
Blocpdb> 17 atoms in block 58
Block first atom: 955
Blocpdb> 14 atoms in block 59
Block first atom: 972
Blocpdb> 13 atoms in block 60
Block first atom: 986
Blocpdb> 20 atoms in block 61
Block first atom: 999
Blocpdb> 22 atoms in block 62
Block first atom: 1019
Blocpdb> 15 atoms in block 63
Block first atom: 1041
Blocpdb> 15 atoms in block 64
Block first atom: 1056
Blocpdb> 10 atoms in block 65
Block first atom: 1071
Blocpdb> 12 atoms in block 66
Block first atom: 1081
Blocpdb> 14 atoms in block 67
Block first atom: 1093
Blocpdb> 17 atoms in block 68
Block first atom: 1107
Blocpdb> 13 atoms in block 69
Block first atom: 1124
Blocpdb> 23 atoms in block 70
Block first atom: 1137
Blocpdb> 21 atoms in block 71
Block first atom: 1160
Blocpdb> 22 atoms in block 72
Block first atom: 1181
Blocpdb> 13 atoms in block 73
Block first atom: 1203
Blocpdb> 14 atoms in block 74
Block first atom: 1216
Blocpdb> 23 atoms in block 75
Block first atom: 1230
Blocpdb> 14 atoms in block 76
Block first atom: 1253
Blocpdb> 19 atoms in block 77
Block first atom: 1267
Blocpdb> 20 atoms in block 78
Block first atom: 1286
Blocpdb> 22 atoms in block 79
Block first atom: 1306
Blocpdb> 18 atoms in block 80
Block first atom: 1328
Blocpdb> 14 atoms in block 81
Block first atom: 1346
Blocpdb> 12 atoms in block 82
Block first atom: 1360
Blocpdb> 15 atoms in block 83
Block first atom: 1372
Blocpdb> 16 atoms in block 84
Block first atom: 1387
Blocpdb> 9 atoms in block 85
Block first atom: 1403
Blocpdb> 17 atoms in block 86
Block first atom: 1412
Blocpdb> 14 atoms in block 87
Block first atom: 1429
Blocpdb> 17 atoms in block 88
Block first atom: 1443
Blocpdb> 11 atoms in block 89
Block first atom: 1460
Blocpdb> 24 atoms in block 90
Block first atom: 1471
Blocpdb> 17 atoms in block 91
Block first atom: 1495
Blocpdb> 19 atoms in block 92
Block first atom: 1512
Blocpdb> 17 atoms in block 93
Block first atom: 1531
Blocpdb> 15 atoms in block 94
Block first atom: 1548
Blocpdb> 17 atoms in block 95
Block first atom: 1563
Blocpdb> 14 atoms in block 96
Block first atom: 1580
Blocpdb> 22 atoms in block 97
Block first atom: 1594
Blocpdb> 21 atoms in block 98
Block first atom: 1616
Blocpdb> 12 atoms in block 99
Block first atom: 1637
Blocpdb> 14 atoms in block 100
Block first atom: 1649
Blocpdb> 16 atoms in block 101
Block first atom: 1663
Blocpdb> 22 atoms in block 102
Block first atom: 1679
Blocpdb> 13 atoms in block 103
Block first atom: 1701
Blocpdb> 21 atoms in block 104
Block first atom: 1714
Blocpdb> 23 atoms in block 105
Block first atom: 1735
Blocpdb> 15 atoms in block 106
Block first atom: 1758
Blocpdb> 10 atoms in block 107
Block first atom: 1773
Blocpdb> 15 atoms in block 108
Block first atom: 1783
Blocpdb> 15 atoms in block 109
Block first atom: 1798
Blocpdb> 17 atoms in block 110
Block first atom: 1813
Blocpdb> 18 atoms in block 111
Block first atom: 1830
Blocpdb> 26 atoms in block 112
Block first atom: 1848
Blocpdb> 19 atoms in block 113
Block first atom: 1874
Blocpdb> 13 atoms in block 114
Block first atom: 1893
Blocpdb> 15 atoms in block 115
Block first atom: 1906
Blocpdb> 15 atoms in block 116
Block first atom: 1921
Blocpdb> 13 atoms in block 117
Block first atom: 1936
Blocpdb> 17 atoms in block 118
Block first atom: 1949
Blocpdb> 11 atoms in block 119
Block first atom: 1966
Blocpdb> 20 atoms in block 120
Block first atom: 1977
Blocpdb> 10 atoms in block 121
Block first atom: 1997
Blocpdb> 12 atoms in block 122
Block first atom: 2007
Blocpdb> 22 atoms in block 123
Block first atom: 2019
Blocpdb> 16 atoms in block 124
Block first atom: 2041
Blocpdb> 15 atoms in block 125
Block first atom: 2057
Blocpdb> 16 atoms in block 126
Block first atom: 2072
Blocpdb> 14 atoms in block 127
Block first atom: 2088
Blocpdb> 25 atoms in block 128
Block first atom: 2102
Blocpdb> 14 atoms in block 129
Block first atom: 2127
Blocpdb> 18 atoms in block 130
Block first atom: 2141
Blocpdb> 11 atoms in block 131
Block first atom: 2159
Blocpdb> 11 atoms in block 132
Block first atom: 2170
Blocpdb> 6 atoms in block 133
Block first atom: 2180
Blocpdb> 133 blocks.
Blocpdb> At most, 26 atoms in each of them.
Blocpdb> At least, 6 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> 831478 matrix lines read.
Prepmat> Matrix order = 6558
Prepmat> Matrix trace = 1818620.0000
Prepmat> Last element read: 6558 6558 186.5298
Prepmat> 8912 lines saved.
Prepmat> 7543 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: 2186
RTB> Total mass = 2186.0000
RTB> Number of atoms found in matrix: 2186
RTB> Number of blocks = 133
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 184540.1700
RTB> 47253 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 = 798
Diagstd> Nb of non-zero elements: 47253
Diagstd> Projected matrix trace = 184540.1700
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 798 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 184540.1700
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 0.7187387 1.3407343 1.4287256 2.2536409
2.8778988 4.0984555 4.2182427 4.5173488 5.0960118
5.6413445 6.2111982 6.6557738 7.6705579 7.9017146
8.9038855 11.8863295 13.3505893 13.7663681 15.3161642
16.1955501 16.7959576 17.8894524 18.2626701 19.0581455
20.1512995 21.3189565 22.0110923 22.8377320 23.3351341
23.5681239 26.2862130 27.4978366 27.6720818 28.3556762
28.6727199 29.8552636 30.3330895 30.4696690 31.2241990
31.5860934 32.0328364 32.5542404 34.5382683 35.0317320
35.1357988 35.7764003 35.9717288 36.9556926 37.1278967
37.6696676 38.1580160 38.5462245 39.4740509 41.2666162
41.7356429 43.1636850 43.3691335 44.2436364 44.7797006
45.3146431 45.9478597 47.0133056 47.4403622 48.1556647
48.5184919 49.1349921 49.1712847 50.0864401 51.7716449
52.5411264 53.5557733 54.1677651 55.6123062 56.2185475
56.5324698 56.9713425 58.1655345 58.8519242 59.2136394
59.9859933 60.4155687 60.9362347 61.6858819 62.5455515
63.5772119 63.7823021 65.0516949 65.8000296 66.2625453
67.1320263 67.8871441 69.1497565 69.4940144 70.6001130
71.0032524 71.2717004 72.0962810 73.3999118 73.5105201
74.4292929
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034318 0.0034323 0.0034326 0.0034331 0.0034337
0.0034344 92.0620805 125.7380263 129.7985057 163.0187807
184.2184152 219.8393295 223.0288588 230.8006835 245.1379189
257.9209340 270.6343852 280.1525358 300.7521608 305.2501956
324.0298823 374.3856234 396.7760943 402.9071456 424.9817567
437.0117679 445.0385842 459.2972061 464.0635066 474.0624964
487.4687829 501.3929828 509.4670229 518.9455187 524.5663531
527.1786176 556.7488029 569.4355072 571.2368255 578.2495242
581.4732311 593.3428799 598.0721834 599.4171275 606.7935187
610.2998144 614.6005972 619.5823865 638.1834831 642.7263201
643.6802678 649.5216044 651.2922879 660.1398546 661.6761086
666.4862199 670.7924611 674.1960498 682.2619142 697.5811066
701.5341778 713.4352072 715.1310796 722.3051104 726.6677281
730.9952619 736.0849250 744.5702411 747.9443373 753.5619670
756.3954833 761.1858833 761.4669491 768.5203344 781.3421660
787.1272900 794.6912431 799.2188882 809.8055205 814.2074848
816.4775729 819.6406837 828.1864907 833.0587183 835.6148661
841.0468866 844.0529929 847.6822474 852.8804695 858.8028825
865.8566951 867.2521306 875.8396222 880.8629123 883.9533325
889.7339415 894.7239231 903.0059412 905.2509310 912.4266855
915.0280374 916.7561677 922.0441392 930.3429035 931.0436188
936.8438861
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 2186
Rtb_to_modes> Number of blocs = 133
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: 9.9876E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9905E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9918E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9949E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9987E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0003E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.7187
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 1.341
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 1.429
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 2.254
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 2.878
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 4.098
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 4.218
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 4.517
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 5.096
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 5.641
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 6.211
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 6.656
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 7.671
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 7.902
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 8.904
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 11.89
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 13.35
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 13.77
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 15.32
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 16.20
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 16.80
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 17.89
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 18.26
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 19.06
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 20.15
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 21.32
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 22.01
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 22.84
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 23.34
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 23.57
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 26.29
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 27.50
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 27.67
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 28.36
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 28.67
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 29.86
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 30.33
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 30.47
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 31.22
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 31.59
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 32.03
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 32.55
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 34.54
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 35.03
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 35.14
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 35.78
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 35.97
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 36.96
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 37.13
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 37.67
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 38.16
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 38.55
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 39.47
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 41.27
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 41.74
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 43.16
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 43.37
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 44.24
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 44.78
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 45.31
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 45.95
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 47.01
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 47.44
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 48.16
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 48.52
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 49.13
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 49.17
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 50.09
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 51.77
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 52.54
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 53.56
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 54.17
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 55.61
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 56.22
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 56.53
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 56.97
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 58.17
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 58.85
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 59.21
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 59.99
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 60.42
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 60.94
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 61.69
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 62.55
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 63.58
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 63.78
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 65.05
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 65.80
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 66.26
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 67.13
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 67.89
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 69.15
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 69.49
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 70.60
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 71.00
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 71.27
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 72.10
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 73.40
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 73.51
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 74.43
Rtb_to_modes> 106 vectors, with 798 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00001 1.00002 1.00000 0.99999 1.00001
1.00000 0.99999 0.99999 1.00000 1.00003
1.00003 1.00001 1.00001 1.00002 0.99998
0.99998 1.00000 0.99998 1.00001 1.00003
0.99997 0.99998 0.99997 1.00001 1.00000
1.00000 0.99997 1.00002 1.00002 1.00001
1.00002 1.00001 0.99996 1.00001 1.00000
1.00001 1.00000 1.00001 1.00000 1.00003
1.00003 1.00002 0.99998 1.00000 1.00000
0.99998 1.00001 1.00001 0.99999 0.99998
1.00001 0.99999 1.00000 1.00001 0.99999
1.00000 1.00001 1.00000 0.99999 1.00002
0.99999 1.00001 0.99997 1.00002 1.00002
1.00003 1.00000 0.99999 0.99999 1.00000
0.99996 1.00000 1.00002 0.99998 1.00001
1.00001 0.99998 1.00001 1.00001 1.00003
1.00001 1.00002 0.99999 1.00000 1.00002
0.99998 1.00003 1.00001 1.00002 1.00000
1.00001 0.99999 1.00000 0.99999 0.99999
1.00003 0.99999 1.00001 1.00001 1.00002
0.99997 0.99998 1.00000 0.99999 0.99999
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 39348 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00001 1.00002 1.00000 0.99999 1.00001
1.00000 0.99999 0.99999 1.00000 1.00003
1.00003 1.00001 1.00001 1.00002 0.99998
0.99998 1.00000 0.99998 1.00001 1.00003
0.99997 0.99998 0.99997 1.00001 1.00000
1.00000 0.99997 1.00002 1.00002 1.00001
1.00002 1.00001 0.99996 1.00001 1.00000
1.00001 1.00000 1.00001 1.00000 1.00003
1.00003 1.00002 0.99998 1.00000 1.00000
0.99998 1.00001 1.00001 0.99999 0.99998
1.00001 0.99999 1.00000 1.00001 0.99999
1.00000 1.00001 1.00000 0.99999 1.00002
0.99999 1.00001 0.99997 1.00002 1.00002
1.00003 1.00000 0.99999 0.99999 1.00000
0.99996 1.00000 1.00002 0.99998 1.00001
1.00001 0.99998 1.00001 1.00001 1.00003
1.00001 1.00002 0.99999 1.00000 1.00002
0.99998 1.00003 1.00001 1.00002 1.00000
1.00001 0.99999 1.00000 0.99999 0.99999
1.00003 0.99999 1.00001 1.00001 1.00002
0.99997 0.99998 1.00000 0.99999 0.99999
1.00000
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> 2404061749242688586.eigenfacs
Openam> file on opening on unit 10:
2404061749242688586.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404061749242688586.atom
Openam> file on opening on unit 11:
2404061749242688586.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 = 265
First residue number = 253
Last residue number = 384
Number of atoms found = 2186
Mean number per residue = 8.2
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9876E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9905E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9918E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9949E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9987E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0003E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7187
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 1.341
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 1.429
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 2.254
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 2.878
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 4.098
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 4.218
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 4.517
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 5.096
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 5.641
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 6.211
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 6.656
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 7.671
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 7.902
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 8.904
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 11.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 13.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 13.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 15.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 16.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 16.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 17.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 18.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 19.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 20.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 21.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 22.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 22.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 23.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 23.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 26.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 27.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 27.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 28.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 28.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 29.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 30.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 30.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 31.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 31.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 32.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 32.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 34.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 35.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 35.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 35.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 35.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 36.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 37.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 37.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 38.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 38.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 39.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 41.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 41.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 43.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 43.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 44.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 44.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 45.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 45.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 47.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 47.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 48.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 48.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 49.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 49.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 50.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 51.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 52.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 53.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 54.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 55.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 56.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 56.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 56.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 58.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 58.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 59.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 59.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 60.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 60.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 61.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 62.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 63.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 63.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 65.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 65.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 66.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 67.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 67.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 69.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 69.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 70.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 71.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 71.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 72.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 73.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 73.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 74.43
Bfactors> 106 vectors, 6558 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 : 0.718700
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= 0.780 for 272 C-alpha atoms.
Bfactors> = 0.050 +/- 0.09
Bfactors> = 29.943 +/- 8.20
Bfactors> Shiftng-fct= 29.893
Bfactors> Scaling-fct= 91.965
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404061749242688586 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404061749242688586.eigenfacs
2404061749242688586.atom
calculating perturbed structure for DQ=-80
2404061749242688586.eigenfacs
2404061749242688586.atom
calculating perturbed structure for DQ=-60
2404061749242688586.eigenfacs
2404061749242688586.atom
calculating perturbed structure for DQ=-40
2404061749242688586.eigenfacs
2404061749242688586.atom
calculating perturbed structure for DQ=-20
2404061749242688586.eigenfacs
2404061749242688586.atom
calculating perturbed structure for DQ=0
2404061749242688586.eigenfacs
2404061749242688586.atom
calculating perturbed structure for DQ=20
2404061749242688586.eigenfacs
2404061749242688586.atom
calculating perturbed structure for DQ=40
2404061749242688586.eigenfacs
2404061749242688586.atom
calculating perturbed structure for DQ=60
2404061749242688586.eigenfacs
2404061749242688586.atom
calculating perturbed structure for DQ=80
2404061749242688586.eigenfacs
2404061749242688586.atom
calculating perturbed structure for DQ=100
2404061749242688586.eigenfacs
2404061749242688586.atom
making animated gifs
11 models are in 2404061749242688586.7.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 2404061749242688586.7.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 2404061749242688586.7.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 2404061749242688586 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404061749242688586.eigenfacs
2404061749242688586.atom
calculating perturbed structure for DQ=-80
2404061749242688586.eigenfacs
2404061749242688586.atom
calculating perturbed structure for DQ=-60
2404061749242688586.eigenfacs
2404061749242688586.atom
calculating perturbed structure for DQ=-40
2404061749242688586.eigenfacs
2404061749242688586.atom
calculating perturbed structure for DQ=-20
2404061749242688586.eigenfacs
2404061749242688586.atom
calculating perturbed structure for DQ=0
2404061749242688586.eigenfacs
2404061749242688586.atom
calculating perturbed structure for DQ=20
2404061749242688586.eigenfacs
2404061749242688586.atom
calculating perturbed structure for DQ=40
2404061749242688586.eigenfacs
2404061749242688586.atom
calculating perturbed structure for DQ=60
2404061749242688586.eigenfacs
2404061749242688586.atom
calculating perturbed structure for DQ=80
2404061749242688586.eigenfacs
2404061749242688586.atom
calculating perturbed structure for DQ=100
2404061749242688586.eigenfacs
2404061749242688586.atom
making animated gifs
11 models are in 2404061749242688586.8.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 2404061749242688586.8.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 2404061749242688586.8.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 2404061749242688586 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404061749242688586.eigenfacs
2404061749242688586.atom
calculating perturbed structure for DQ=-80
2404061749242688586.eigenfacs
2404061749242688586.atom
calculating perturbed structure for DQ=-60
2404061749242688586.eigenfacs
2404061749242688586.atom
calculating perturbed structure for DQ=-40
2404061749242688586.eigenfacs
2404061749242688586.atom
calculating perturbed structure for DQ=-20
2404061749242688586.eigenfacs
2404061749242688586.atom
calculating perturbed structure for DQ=0
2404061749242688586.eigenfacs
2404061749242688586.atom
calculating perturbed structure for DQ=20
2404061749242688586.eigenfacs
2404061749242688586.atom
calculating perturbed structure for DQ=40
2404061749242688586.eigenfacs
2404061749242688586.atom
calculating perturbed structure for DQ=60
2404061749242688586.eigenfacs
2404061749242688586.atom
calculating perturbed structure for DQ=80
2404061749242688586.eigenfacs
2404061749242688586.atom
calculating perturbed structure for DQ=100
2404061749242688586.eigenfacs
2404061749242688586.atom
making animated gifs
11 models are in 2404061749242688586.9.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 2404061749242688586.9.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 2404061749242688586.9.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 2404061749242688586 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404061749242688586.eigenfacs
2404061749242688586.atom
calculating perturbed structure for DQ=-80
2404061749242688586.eigenfacs
2404061749242688586.atom
calculating perturbed structure for DQ=-60
2404061749242688586.eigenfacs
2404061749242688586.atom
calculating perturbed structure for DQ=-40
2404061749242688586.eigenfacs
2404061749242688586.atom
calculating perturbed structure for DQ=-20
2404061749242688586.eigenfacs
2404061749242688586.atom
calculating perturbed structure for DQ=0
2404061749242688586.eigenfacs
2404061749242688586.atom
calculating perturbed structure for DQ=20
2404061749242688586.eigenfacs
2404061749242688586.atom
calculating perturbed structure for DQ=40
2404061749242688586.eigenfacs
2404061749242688586.atom
calculating perturbed structure for DQ=60
2404061749242688586.eigenfacs
2404061749242688586.atom
calculating perturbed structure for DQ=80
2404061749242688586.eigenfacs
2404061749242688586.atom
calculating perturbed structure for DQ=100
2404061749242688586.eigenfacs
2404061749242688586.atom
making animated gifs
11 models are in 2404061749242688586.10.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 2404061749242688586.10.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 2404061749242688586.10.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 2404061749242688586 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404061749242688586.eigenfacs
2404061749242688586.atom
calculating perturbed structure for DQ=-80
2404061749242688586.eigenfacs
2404061749242688586.atom
calculating perturbed structure for DQ=-60
2404061749242688586.eigenfacs
2404061749242688586.atom
calculating perturbed structure for DQ=-40
2404061749242688586.eigenfacs
2404061749242688586.atom
calculating perturbed structure for DQ=-20
2404061749242688586.eigenfacs
2404061749242688586.atom
calculating perturbed structure for DQ=0
2404061749242688586.eigenfacs
2404061749242688586.atom
calculating perturbed structure for DQ=20
2404061749242688586.eigenfacs
2404061749242688586.atom
calculating perturbed structure for DQ=40
2404061749242688586.eigenfacs
2404061749242688586.atom
calculating perturbed structure for DQ=60
2404061749242688586.eigenfacs
2404061749242688586.atom
calculating perturbed structure for DQ=80
2404061749242688586.eigenfacs
2404061749242688586.atom
calculating perturbed structure for DQ=100
2404061749242688586.eigenfacs
2404061749242688586.atom
making animated gifs
11 models are in 2404061749242688586.11.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 2404061749242688586.11.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 2404061749242688586.11.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
2404061749242688586.10.pdb
2404061749242688586.11.pdb
2404061749242688586.7.pdb
2404061749242688586.8.pdb
2404061749242688586.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m8.883s
user 0m8.823s
sys 0m0.060s
../../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: 2404061749242688586.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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
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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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