*** gal1_monomer_wt ***
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 = 2405021233474105405.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 2405021233474105405.atom to be opened.
Openam> File opened: 2405021233474105405.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 = 133
First residue number = 1001
Last residue number = 1134
Number of atoms found = 1023
Mean number per residue = 7.7
Pdbmat> Coordinate statistics:
= 12.250745 +/- 7.706562 From: -5.858000 To: 28.821000
= 54.455142 +/- 7.764366 From: 35.125000 To: 70.833000
= 23.919445 +/- 8.155316 From: 7.068000 To: 42.444000
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 7.8387 % Filled.
Pdbmat> 369273 non-zero elements.
Pdbmat> 40355 atom-atom interactions.
Pdbmat> Number per atom= 78.90 +/- 22.98
Maximum number = 124
Minimum number = 12
Pdbmat> Matrix trace = 807100.
Pdbmat> Larger element = 486.416
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
133 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 = 2405021233474105405.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 2405021233474105405.atom to be opened.
Openam> file on opening on unit 11:
2405021233474105405.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 1023 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> 133 residues.
Blocpdb> 5 atoms in block 1
Block first atom: 1
Blocpdb> 6 atoms in block 2
Block first atom: 6
Blocpdb> 4 atoms in block 3
Block first atom: 12
Blocpdb> 8 atoms in block 4
Block first atom: 16
Blocpdb> 7 atoms in block 5
Block first atom: 24
Blocpdb> 5 atoms in block 6
Block first atom: 31
Blocpdb> 6 atoms in block 7
Block first atom: 36
Blocpdb> 8 atoms in block 8
Block first atom: 42
Blocpdb> 8 atoms in block 9
Block first atom: 50
Blocpdb> 8 atoms in block 10
Block first atom: 58
Blocpdb> 8 atoms in block 11
Block first atom: 66
Blocpdb> 9 atoms in block 12
Block first atom: 74
Blocpdb> 7 atoms in block 13
Block first atom: 83
Blocpdb> 4 atoms in block 14
Block first atom: 90
Blocpdb> 9 atoms in block 15
Block first atom: 94
Blocpdb> 8 atoms in block 16
Block first atom: 103
Blocpdb> 11 atoms in block 17
Block first atom: 111
Blocpdb> 7 atoms in block 18
Block first atom: 122
Blocpdb> 11 atoms in block 19
Block first atom: 129
Blocpdb> 4 atoms in block 20
Block first atom: 140
Blocpdb> 9 atoms in block 21
Block first atom: 144
Blocpdb> 7 atoms in block 22
Block first atom: 153
Blocpdb> 5 atoms in block 23
Block first atom: 160
Blocpdb> 7 atoms in block 24
Block first atom: 165
Blocpdb> 8 atoms in block 25
Block first atom: 172
Blocpdb> 5 atoms in block 26
Block first atom: 180
Blocpdb> 9 atoms in block 27
Block first atom: 185
Blocpdb> 6 atoms in block 28
Block first atom: 194
Blocpdb> 11 atoms in block 29
Block first atom: 200
Blocpdb> 7 atoms in block 30
Block first atom: 211
Blocpdb> 8 atoms in block 31
Block first atom: 218
Blocpdb> 8 atoms in block 32
Block first atom: 226
Blocpdb> 8 atoms in block 33
Block first atom: 234
Blocpdb> 4 atoms in block 34
Block first atom: 242
Blocpdb> 9 atoms in block 35
Block first atom: 246
Blocpdb> 8 atoms in block 36
Block first atom: 255
Blocpdb> 6 atoms in block 37
Block first atom: 263
Blocpdb> 8 atoms in block 38
Block first atom: 269
Blocpdb> 8 atoms in block 39
Block first atom: 277
Blocpdb> 8 atoms in block 40
Block first atom: 285
Blocpdb> 6 atoms in block 41
Block first atom: 293
Blocpdb> 8 atoms in block 42
Block first atom: 299
Blocpdb> 10 atoms in block 43
Block first atom: 307
Blocpdb> 11 atoms in block 44
Block first atom: 317
Blocpdb> 8 atoms in block 45
Block first atom: 328
Blocpdb> 7 atoms in block 46
Block first atom: 336
Blocpdb> 11 atoms in block 47
Block first atom: 343
Blocpdb> 11 atoms in block 48
Block first atom: 354
Blocpdb> 8 atoms in block 49
Block first atom: 365
Blocpdb> 5 atoms in block 50
Block first atom: 373
Blocpdb> 10 atoms in block 51
Block first atom: 378
Blocpdb> 4 atoms in block 52
Block first atom: 388
Blocpdb> 8 atoms in block 53
Block first atom: 392
Blocpdb> 5 atoms in block 54
Block first atom: 400
Blocpdb> 8 atoms in block 55
Block first atom: 405
Blocpdb> 7 atoms in block 56
Block first atom: 413
Blocpdb> 8 atoms in block 57
Block first atom: 420
Blocpdb> 7 atoms in block 58
Block first atom: 428
Blocpdb> 6 atoms in block 59
Block first atom: 435
Blocpdb> 8 atoms in block 60
Block first atom: 441
Blocpdb> 6 atoms in block 61
Block first atom: 449
Blocpdb> 9 atoms in block 62
Block first atom: 455
Blocpdb> 8 atoms in block 63
Block first atom: 464
Blocpdb> 8 atoms in block 64
Block first atom: 472
Blocpdb> 4 atoms in block 65
Block first atom: 480
Blocpdb> 5 atoms in block 66
Block first atom: 484
Blocpdb> 14 atoms in block 67
Block first atom: 489
Blocpdb> 4 atoms in block 68
Block first atom: 503
Blocpdb> 7 atoms in block 69
Block first atom: 507
Blocpdb> 9 atoms in block 70
Block first atom: 514
Blocpdb> 9 atoms in block 71
Block first atom: 523
Blocpdb> 11 atoms in block 72
Block first atom: 532
Blocpdb> 9 atoms in block 73
Block first atom: 543
Blocpdb> 5 atoms in block 74
Block first atom: 552
Blocpdb> 7 atoms in block 75
Block first atom: 557
Blocpdb> 11 atoms in block 76
Block first atom: 564
Blocpdb> 7 atoms in block 77
Block first atom: 575
Blocpdb> 11 atoms in block 78
Block first atom: 582
Blocpdb> 9 atoms in block 79
Block first atom: 593
Blocpdb> 7 atoms in block 80
Block first atom: 602
Blocpdb> 4 atoms in block 81
Block first atom: 609
Blocpdb> 6 atoms in block 82
Block first atom: 613
Blocpdb> 7 atoms in block 83
Block first atom: 619
Blocpdb> 5 atoms in block 84
Block first atom: 626
Blocpdb> 9 atoms in block 85
Block first atom: 631
Blocpdb> 7 atoms in block 86
Block first atom: 640
Blocpdb> 6 atoms in block 87
Block first atom: 647
Blocpdb> 8 atoms in block 88
Block first atom: 653
Blocpdb> 7 atoms in block 89
Block first atom: 661
Blocpdb> 11 atoms in block 90
Block first atom: 668
Blocpdb> 8 atoms in block 91
Block first atom: 679
Blocpdb> 9 atoms in block 92
Block first atom: 687
Blocpdb> 5 atoms in block 93
Block first atom: 696
Blocpdb> 8 atoms in block 94
Block first atom: 701
Blocpdb> 8 atoms in block 95
Block first atom: 709
Blocpdb> 7 atoms in block 96
Block first atom: 717
Blocpdb> 7 atoms in block 97
Block first atom: 724
Blocpdb> 9 atoms in block 98
Block first atom: 731
Blocpdb> 8 atoms in block 99
Block first atom: 740
Blocpdb> 7 atoms in block 100
Block first atom: 748
Blocpdb> 8 atoms in block 101
Block first atom: 755
Blocpdb> 4 atoms in block 102
Block first atom: 763
Blocpdb> 12 atoms in block 103
Block first atom: 767
Blocpdb> 9 atoms in block 104
Block first atom: 779
Blocpdb> 11 atoms in block 105
Block first atom: 788
Blocpdb> 9 atoms in block 106
Block first atom: 799
Blocpdb> 11 atoms in block 107
Block first atom: 808
Blocpdb> 7 atoms in block 108
Block first atom: 819
Blocpdb> 8 atoms in block 109
Block first atom: 826
Blocpdb> 11 atoms in block 110
Block first atom: 834
Blocpdb> 8 atoms in block 111
Block first atom: 845
Blocpdb> 8 atoms in block 112
Block first atom: 853
Blocpdb> 8 atoms in block 113
Block first atom: 861
Blocpdb> 9 atoms in block 114
Block first atom: 869
Blocpdb> 5 atoms in block 115
Block first atom: 878
Blocpdb> 8 atoms in block 116
Block first atom: 883
Blocpdb> 8 atoms in block 117
Block first atom: 891
Blocpdb> 12 atoms in block 118
Block first atom: 899
Blocpdb> 8 atoms in block 119
Block first atom: 911
Blocpdb> 5 atoms in block 120
Block first atom: 919
Blocpdb> 5 atoms in block 121
Block first atom: 924
Blocpdb> 8 atoms in block 122
Block first atom: 929
Blocpdb> 4 atoms in block 123
Block first atom: 937
Blocpdb> 8 atoms in block 124
Block first atom: 941
Blocpdb> 11 atoms in block 125
Block first atom: 949
Blocpdb> 9 atoms in block 126
Block first atom: 960
Blocpdb> 8 atoms in block 127
Block first atom: 969
Blocpdb> 9 atoms in block 128
Block first atom: 977
Blocpdb> 6 atoms in block 129
Block first atom: 986
Blocpdb> 7 atoms in block 130
Block first atom: 992
Blocpdb> 5 atoms in block 131
Block first atom: 999
Blocpdb> 11 atoms in block 132
Block first atom: 1004
Blocpdb> 9 atoms in block 133
Block first atom: 1014
Blocpdb> 133 blocks.
Blocpdb> At most, 14 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> 369406 matrix lines read.
Prepmat> Matrix order = 3069
Prepmat> Matrix trace = 807100.0000
Prepmat> Last element read: 3069 3069 134.1808
Prepmat> 8912 lines saved.
Prepmat> 7265 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: 1023
RTB> Total mass = 1023.0000
RTB> Number of atoms found in matrix: 1023
RTB> Number of blocks = 133
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 191996.5996
RTB> 57261 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: 57261
Diagstd> Projected matrix trace = 191996.5996
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 = 191996.5996
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 3.2169381 7.9232542 8.4439922 8.8391345
9.9491928 13.5234411 17.5072402 18.3918627 20.4667537
20.9587621 22.1335620 22.5014325 23.6758146 24.0775034
25.9509316 26.6432925 26.9525841 28.4635703 29.5310462
30.0867161 31.6159673 31.9981364 33.4375434 34.4028698
35.1826846 36.6808381 38.5043697 39.3005911 41.9459650
42.2696058 44.0367078 45.5495192 46.4130469 47.8401652
49.6019540 50.8501533 51.5924099 52.7242193 53.1376564
54.1364245 54.9569245 55.5619300 56.2366906 58.7640467
60.5656806 60.5900967 62.3634998 63.0290689 63.6715905
65.4183878 65.7707124 66.4531318 68.6438619 69.0298558
69.9115692 71.0116516 71.5529809 71.6366191 73.7279155
74.5264174 76.0304624 76.5778032 77.9023725 79.1326509
79.1925688 80.6434653 81.7284768 82.7452293 83.2284187
84.5312197 85.3325314 85.8763101 86.4284131 86.7930363
87.9377979 88.9955227 89.6822895 90.3254258 90.6750518
91.6929036 92.1863007 94.1676824 94.3745359 94.9449474
95.9856715 96.5747276 98.0890139 98.9973866 100.3083069
101.1667772 101.7363980 102.5343614 102.6097342 103.4348501
103.5674216 104.7596682 105.3551779 105.4562579 106.2996362
106.4507157
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034323 0.0034331 0.0034335 0.0034337 0.0034338
0.0034349 194.7675634 305.6659596 315.5507311 322.8495243
342.5225779 399.3363902 454.3642215 465.7020376 491.2694543
497.1392975 510.8823940 515.1104536 528.3816727 532.8451370
553.1867339 560.5175644 563.7615921 579.3486074 590.1123405
595.6383803 610.5883544 614.2676202 627.9317772 636.9313358
644.1095935 657.6804095 673.8299174 680.7612414 703.2996082
706.0076045 720.6140112 732.8872714 739.8016919 751.0893698
764.7943538 774.3573301 779.9884782 788.4975694 791.5830355
798.9876470 805.0196675 809.4386575 814.3388571 832.4365253
845.1009333 845.2712606 857.5521107 862.1160415 866.4991272
878.3046837 880.6666562 885.2236471 899.6967148 902.2227281
907.9664587 915.0821571 918.5634184 919.1001154 932.4193074
937.4549411 946.8672512 950.2693728 958.4525617 965.9911279
966.3567742 975.1689642 981.7072146 987.7948602 990.6747683
998.3983350 1003.1193200 1006.3104162 1009.5400431 1011.6673196
1018.3171860 1024.4230918 1028.3681648 1032.0489329 1034.0443989
1039.8319152 1042.6258160 1053.7709486 1054.9276968 1058.1109517
1063.8943048 1067.1538270 1075.4877414 1080.4561485 1087.5863050
1092.2303442 1095.3009365 1099.5880104 1099.9920884 1104.4059176
1105.1134442 1111.4561608 1114.6107381 1115.1453003 1119.5955649
1120.3909008
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 1023
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: 9.9902E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9947E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9972E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9985E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9993E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0006E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 3.217
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 7.923
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 8.444
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 8.839
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 9.949
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 13.52
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 17.51
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 18.39
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 20.47
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 20.96
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 22.13
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 22.50
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 23.68
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 24.08
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 25.95
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 26.64
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 26.95
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 28.46
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 29.53
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 30.09
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 31.62
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 32.00
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 33.44
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 34.40
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 35.18
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 36.68
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 38.50
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 39.30
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 41.95
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 42.27
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 44.04
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 45.55
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 46.41
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 47.84
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 49.60
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 50.85
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 51.59
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 52.72
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 53.14
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 54.14
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 54.96
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 55.56
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 56.24
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 58.76
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 60.57
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 60.59
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 62.36
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 63.03
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 63.67
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 65.42
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 65.77
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 66.45
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 68.64
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 69.03
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 69.91
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 71.01
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 71.55
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 71.64
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 73.73
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 74.53
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 76.03
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 76.58
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 77.90
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 79.13
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 79.19
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 80.64
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 81.73
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 82.75
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 83.23
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 84.53
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 85.33
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 85.88
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 86.43
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 86.79
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 87.94
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 89.00
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 89.68
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 90.33
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 90.68
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 91.69
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 92.19
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 94.17
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 94.37
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 94.94
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 95.99
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 96.57
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 98.09
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 99.00
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 100.3
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 101.2
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 101.7
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 102.5
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 102.6
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 103.4
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 103.6
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 104.8
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 105.4
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 105.5
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 106.3
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 106.5
Rtb_to_modes> 106 vectors, with 798 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99998 1.00001 0.99999 0.99998 1.00000
1.00000 0.99998 0.99994 0.99998 1.00001
1.00000 1.00001 0.99999 1.00002 1.00001
0.99998 1.00000 1.00002 1.00000 1.00000
0.99999 1.00003 1.00000 0.99999 1.00002
1.00001 0.99999 1.00002 1.00000 1.00000
1.00002 0.99999 0.99999 0.99999 1.00000
1.00000 1.00000 0.99997 1.00000 1.00002
1.00000 0.99997 1.00000 0.99999 0.99999
0.99997 1.00001 0.99998 1.00002 1.00004
1.00000 1.00001 1.00002 0.99999 0.99999
1.00002 1.00001 0.99999 1.00000 1.00001
0.99998 1.00001 1.00001 0.99998 1.00000
1.00000 0.99998 1.00000 1.00000 1.00002
1.00000 1.00001 1.00000 0.99999 0.99999
0.99996 1.00000 1.00000 1.00000 1.00000
1.00000 1.00001 1.00000 1.00002 0.99999
1.00003 1.00000 0.99998 1.00003 0.99998
1.00000 1.00001 1.00002 1.00000 1.00000
0.99999 1.00001 1.00002 1.00000 1.00002
0.99997 0.99996 1.00001 0.99999 1.00000
0.99998
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 18414 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99998 1.00001 0.99999 0.99998 1.00000
1.00000 0.99998 0.99994 0.99998 1.00001
1.00000 1.00001 0.99999 1.00002 1.00001
0.99998 1.00000 1.00002 1.00000 1.00000
0.99999 1.00003 1.00000 0.99999 1.00002
1.00001 0.99999 1.00002 1.00000 1.00000
1.00002 0.99999 0.99999 0.99999 1.00000
1.00000 1.00000 0.99997 1.00000 1.00002
1.00000 0.99997 1.00000 0.99999 0.99999
0.99997 1.00001 0.99998 1.00002 1.00004
1.00000 1.00001 1.00002 0.99999 0.99999
1.00002 1.00001 0.99999 1.00000 1.00001
0.99998 1.00001 1.00001 0.99998 1.00000
1.00000 0.99998 1.00000 1.00000 1.00002
1.00000 1.00001 1.00000 0.99999 0.99999
0.99996 1.00000 1.00000 1.00000 1.00000
1.00000 1.00001 1.00000 1.00002 0.99999
1.00003 1.00000 0.99998 1.00003 0.99998
1.00000 1.00001 1.00002 1.00000 1.00000
0.99999 1.00001 1.00002 1.00000 1.00002
0.99997 0.99996 1.00001 0.99999 1.00000
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> 2405021233474105405.eigenfacs
Openam> file on opening on unit 10:
2405021233474105405.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2405021233474105405.atom
Openam> file on opening on unit 11:
2405021233474105405.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 = 133
First residue number = 1001
Last residue number = 1134
Number of atoms found = 1023
Mean number per residue = 7.7
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9902E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9947E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9972E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9985E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9993E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0006E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 3.217
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 7.923
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 8.444
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 8.839
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 9.949
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 13.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 17.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 18.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 20.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 20.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 22.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 22.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 23.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 24.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 25.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 26.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 26.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 28.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 29.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 30.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 31.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 32.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 33.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 34.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 35.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 36.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 38.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 39.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 41.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 42.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 44.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 45.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 46.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 47.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 49.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 50.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 51.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 52.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 53.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 54.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 54.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 55.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 56.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 58.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 60.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 60.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 62.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 63.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 63.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 65.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 65.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 66.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 68.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 69.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 69.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 71.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 71.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 71.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 73.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 74.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 76.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 76.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 77.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 79.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 79.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 80.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 81.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 82.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 83.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 84.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 85.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 85.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 86.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 86.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 87.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 89.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 89.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 90.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 90.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 91.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 92.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 94.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 94.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 94.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 95.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 96.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 98.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 99.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 100.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 101.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 101.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 102.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 102.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 103.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 103.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 104.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 105.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 105.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 106.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 106.5
Bfactors> 106 vectors, 3069 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 : 3.217000
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= 0.468 for 133 C-alpha atoms.
Bfactors> = 0.035 +/- 0.12
Bfactors> = 19.204 +/- 6.16
Bfactors> Shiftng-fct= 19.169
Bfactors> Scaling-fct= 52.477
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2405021233474105405 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2405021233474105405.eigenfacs
2405021233474105405.atom
calculating perturbed structure for DQ=-80
2405021233474105405.eigenfacs
2405021233474105405.atom
calculating perturbed structure for DQ=-60
2405021233474105405.eigenfacs
2405021233474105405.atom
calculating perturbed structure for DQ=-40
2405021233474105405.eigenfacs
2405021233474105405.atom
calculating perturbed structure for DQ=-20
2405021233474105405.eigenfacs
2405021233474105405.atom
calculating perturbed structure for DQ=0
2405021233474105405.eigenfacs
2405021233474105405.atom
calculating perturbed structure for DQ=20
2405021233474105405.eigenfacs
2405021233474105405.atom
calculating perturbed structure for DQ=40
2405021233474105405.eigenfacs
2405021233474105405.atom
calculating perturbed structure for DQ=60
2405021233474105405.eigenfacs
2405021233474105405.atom
calculating perturbed structure for DQ=80
2405021233474105405.eigenfacs
2405021233474105405.atom
calculating perturbed structure for DQ=100
2405021233474105405.eigenfacs
2405021233474105405.atom
making animated gifs
11 models are in 2405021233474105405.7.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 2405021233474105405.7.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 2405021233474105405.7.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 2405021233474105405 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2405021233474105405.eigenfacs
2405021233474105405.atom
calculating perturbed structure for DQ=-80
2405021233474105405.eigenfacs
2405021233474105405.atom
calculating perturbed structure for DQ=-60
2405021233474105405.eigenfacs
2405021233474105405.atom
calculating perturbed structure for DQ=-40
2405021233474105405.eigenfacs
2405021233474105405.atom
calculating perturbed structure for DQ=-20
2405021233474105405.eigenfacs
2405021233474105405.atom
calculating perturbed structure for DQ=0
2405021233474105405.eigenfacs
2405021233474105405.atom
calculating perturbed structure for DQ=20
2405021233474105405.eigenfacs
2405021233474105405.atom
calculating perturbed structure for DQ=40
2405021233474105405.eigenfacs
2405021233474105405.atom
calculating perturbed structure for DQ=60
2405021233474105405.eigenfacs
2405021233474105405.atom
calculating perturbed structure for DQ=80
2405021233474105405.eigenfacs
2405021233474105405.atom
calculating perturbed structure for DQ=100
2405021233474105405.eigenfacs
2405021233474105405.atom
making animated gifs
11 models are in 2405021233474105405.8.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 2405021233474105405.8.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 2405021233474105405.8.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 2405021233474105405 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2405021233474105405.eigenfacs
2405021233474105405.atom
calculating perturbed structure for DQ=-80
2405021233474105405.eigenfacs
2405021233474105405.atom
calculating perturbed structure for DQ=-60
2405021233474105405.eigenfacs
2405021233474105405.atom
calculating perturbed structure for DQ=-40
2405021233474105405.eigenfacs
2405021233474105405.atom
calculating perturbed structure for DQ=-20
2405021233474105405.eigenfacs
2405021233474105405.atom
calculating perturbed structure for DQ=0
2405021233474105405.eigenfacs
2405021233474105405.atom
calculating perturbed structure for DQ=20
2405021233474105405.eigenfacs
2405021233474105405.atom
calculating perturbed structure for DQ=40
2405021233474105405.eigenfacs
2405021233474105405.atom
calculating perturbed structure for DQ=60
2405021233474105405.eigenfacs
2405021233474105405.atom
calculating perturbed structure for DQ=80
2405021233474105405.eigenfacs
2405021233474105405.atom
calculating perturbed structure for DQ=100
2405021233474105405.eigenfacs
2405021233474105405.atom
making animated gifs
11 models are in 2405021233474105405.9.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 2405021233474105405.9.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 2405021233474105405.9.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 2405021233474105405 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2405021233474105405.eigenfacs
2405021233474105405.atom
calculating perturbed structure for DQ=-80
2405021233474105405.eigenfacs
2405021233474105405.atom
calculating perturbed structure for DQ=-60
2405021233474105405.eigenfacs
2405021233474105405.atom
calculating perturbed structure for DQ=-40
2405021233474105405.eigenfacs
2405021233474105405.atom
calculating perturbed structure for DQ=-20
2405021233474105405.eigenfacs
2405021233474105405.atom
calculating perturbed structure for DQ=0
2405021233474105405.eigenfacs
2405021233474105405.atom
calculating perturbed structure for DQ=20
2405021233474105405.eigenfacs
2405021233474105405.atom
calculating perturbed structure for DQ=40
2405021233474105405.eigenfacs
2405021233474105405.atom
calculating perturbed structure for DQ=60
2405021233474105405.eigenfacs
2405021233474105405.atom
calculating perturbed structure for DQ=80
2405021233474105405.eigenfacs
2405021233474105405.atom
calculating perturbed structure for DQ=100
2405021233474105405.eigenfacs
2405021233474105405.atom
making animated gifs
11 models are in 2405021233474105405.10.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 2405021233474105405.10.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 2405021233474105405.10.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 2405021233474105405 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2405021233474105405.eigenfacs
2405021233474105405.atom
calculating perturbed structure for DQ=-80
2405021233474105405.eigenfacs
2405021233474105405.atom
calculating perturbed structure for DQ=-60
2405021233474105405.eigenfacs
2405021233474105405.atom
calculating perturbed structure for DQ=-40
2405021233474105405.eigenfacs
2405021233474105405.atom
calculating perturbed structure for DQ=-20
2405021233474105405.eigenfacs
2405021233474105405.atom
calculating perturbed structure for DQ=0
2405021233474105405.eigenfacs
2405021233474105405.atom
calculating perturbed structure for DQ=20
2405021233474105405.eigenfacs
2405021233474105405.atom
calculating perturbed structure for DQ=40
2405021233474105405.eigenfacs
2405021233474105405.atom
calculating perturbed structure for DQ=60
2405021233474105405.eigenfacs
2405021233474105405.atom
calculating perturbed structure for DQ=80
2405021233474105405.eigenfacs
2405021233474105405.atom
calculating perturbed structure for DQ=100
2405021233474105405.eigenfacs
2405021233474105405.atom
making animated gifs
11 models are in 2405021233474105405.11.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 2405021233474105405.11.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 2405021233474105405.11.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
2405021233474105405.10.pdb
2405021233474105405.11.pdb
2405021233474105405.7.pdb
2405021233474105405.8.pdb
2405021233474105405.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m7.322s
user 0m7.298s
sys 0m0.024s
../../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: 2405021233474105405.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
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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
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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