*** 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 = 2404081712023039829.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 2404081712023039829.atom to be opened.
Openam> File opened: 2404081712023039829.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 = 252
Last residue number = 384
Number of atoms found = 2054
Mean number per residue = 15.4
Pdbmat> Coordinate statistics:
= -12.943964 +/- 7.594925 From: -30.268000 To: 8.434000
= -15.898143 +/- 6.956632 From: -33.209000 To: -0.243000
= 46.377006 +/- 9.890434 From: 18.343000 To: 68.534000
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 7.5860 % Filled.
Pdbmat> 1440450 non-zero elements.
Pdbmat> 158709 atom-atom interactions.
Pdbmat> Number per atom= 154.54 +/- 53.07
Maximum number = 251
Minimum number = 29
Pdbmat> Matrix trace = 3.174180E+06
Pdbmat> Larger element = 881.596
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 = 2404081712023039829.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 2404081712023039829.atom to be opened.
Openam> file on opening on unit 11:
2404081712023039829.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 2054 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> 19 atoms in block 1
Block first atom: 1
Blocpdb> 10 atoms in block 2
Block first atom: 20
Blocpdb> 17 atoms in block 3
Block first atom: 30
Blocpdb> 14 atoms in block 4
Block first atom: 47
Blocpdb> 10 atoms in block 5
Block first atom: 61
Blocpdb> 14 atoms in block 6
Block first atom: 71
Blocpdb> 24 atoms in block 7
Block first atom: 85
Blocpdb> 15 atoms in block 8
Block first atom: 109
Blocpdb> 24 atoms in block 9
Block first atom: 124
Blocpdb> 14 atoms in block 10
Block first atom: 148
Blocpdb> 20 atoms in block 11
Block first atom: 162
Blocpdb> 20 atoms in block 12
Block first atom: 182
Blocpdb> 17 atoms in block 13
Block first atom: 202
Blocpdb> 7 atoms in block 14
Block first atom: 219
Blocpdb> 14 atoms in block 15
Block first atom: 226
Blocpdb> 10 atoms in block 16
Block first atom: 240
Blocpdb> 21 atoms in block 17
Block first atom: 250
Blocpdb> 20 atoms in block 18
Block first atom: 271
Blocpdb> 17 atoms in block 19
Block first atom: 291
Blocpdb> 11 atoms in block 20
Block first atom: 308
Blocpdb> 14 atoms in block 21
Block first atom: 319
Blocpdb> 11 atoms in block 22
Block first atom: 333
Blocpdb> 17 atoms in block 23
Block first atom: 344
Blocpdb> 24 atoms in block 24
Block first atom: 361
Blocpdb> 14 atoms in block 25
Block first atom: 385
Blocpdb> 24 atoms in block 26
Block first atom: 399
Blocpdb> 17 atoms in block 27
Block first atom: 423
Blocpdb> 12 atoms in block 28
Block first atom: 440
Blocpdb> 11 atoms in block 29
Block first atom: 452
Blocpdb> 19 atoms in block 30
Block first atom: 463
Blocpdb> 14 atoms in block 31
Block first atom: 482
Blocpdb> 10 atoms in block 32
Block first atom: 496
Blocpdb> 10 atoms in block 33
Block first atom: 506
Blocpdb> 22 atoms in block 34
Block first atom: 516
Blocpdb> 15 atoms in block 35
Block first atom: 538
Blocpdb> 16 atoms in block 36
Block first atom: 553
Blocpdb> 7 atoms in block 37
Block first atom: 569
Blocpdb> 10 atoms in block 38
Block first atom: 576
Blocpdb> 17 atoms in block 39
Block first atom: 586
Blocpdb> 19 atoms in block 40
Block first atom: 603
Blocpdb> 16 atoms in block 41
Block first atom: 622
Blocpdb> 16 atoms in block 42
Block first atom: 638
Blocpdb> 19 atoms in block 43
Block first atom: 654
Blocpdb> 22 atoms in block 44
Block first atom: 673
Blocpdb> 11 atoms in block 45
Block first atom: 695
Blocpdb> 10 atoms in block 46
Block first atom: 706
Blocpdb> 15 atoms in block 47
Block first atom: 716
Blocpdb> 15 atoms in block 48
Block first atom: 731
Blocpdb> 17 atoms in block 49
Block first atom: 746
Blocpdb> 14 atoms in block 50
Block first atom: 763
Blocpdb> 20 atoms in block 51
Block first atom: 777
Blocpdb> 19 atoms in block 52
Block first atom: 797
Blocpdb> 17 atoms in block 53
Block first atom: 816
Blocpdb> 19 atoms in block 54
Block first atom: 833
Blocpdb> 17 atoms in block 55
Block first atom: 852
Blocpdb> 11 atoms in block 56
Block first atom: 869
Blocpdb> 11 atoms in block 57
Block first atom: 880
Blocpdb> 24 atoms in block 58
Block first atom: 891
Blocpdb> 11 atoms in block 59
Block first atom: 915
Blocpdb> 14 atoms in block 60
Block first atom: 926
Blocpdb> 24 atoms in block 61
Block first atom: 940
Blocpdb> 20 atoms in block 62
Block first atom: 964
Blocpdb> 14 atoms in block 63
Block first atom: 984
Blocpdb> 24 atoms in block 64
Block first atom: 998
Blocpdb> 17 atoms in block 65
Block first atom: 1022
Blocpdb> 7 atoms in block 66
Block first atom: 1039
Blocpdb> 19 atoms in block 67
Block first atom: 1046
Blocpdb> 11 atoms in block 68
Block first atom: 1065
Blocpdb> 12 atoms in block 69
Block first atom: 1076
Blocpdb> 19 atoms in block 70
Block first atom: 1088
Blocpdb> 14 atoms in block 71
Block first atom: 1107
Blocpdb> 17 atoms in block 72
Block first atom: 1121
Blocpdb> 15 atoms in block 73
Block first atom: 1138
Blocpdb> 7 atoms in block 74
Block first atom: 1153
Blocpdb> 14 atoms in block 75
Block first atom: 1160
Blocpdb> 24 atoms in block 76
Block first atom: 1174
Blocpdb> 17 atoms in block 77
Block first atom: 1198
Blocpdb> 24 atoms in block 78
Block first atom: 1215
Blocpdb> 16 atoms in block 79
Block first atom: 1239
Blocpdb> 12 atoms in block 80
Block first atom: 1255
Blocpdb> 7 atoms in block 81
Block first atom: 1267
Blocpdb> 11 atoms in block 82
Block first atom: 1274
Blocpdb> 14 atoms in block 83
Block first atom: 1285
Blocpdb> 19 atoms in block 84
Block first atom: 1299
Blocpdb> 19 atoms in block 85
Block first atom: 1318
Blocpdb> 14 atoms in block 86
Block first atom: 1337
Blocpdb> 11 atoms in block 87
Block first atom: 1351
Blocpdb> 20 atoms in block 88
Block first atom: 1362
Blocpdb> 22 atoms in block 89
Block first atom: 1382
Blocpdb> 17 atoms in block 90
Block first atom: 1404
Blocpdb> 21 atoms in block 91
Block first atom: 1421
Blocpdb> 24 atoms in block 92
Block first atom: 1442
Blocpdb> 14 atoms in block 93
Block first atom: 1466
Blocpdb> 24 atoms in block 94
Block first atom: 1480
Blocpdb> 7 atoms in block 95
Block first atom: 1504
Blocpdb> 15 atoms in block 96
Block first atom: 1511
Blocpdb> 14 atoms in block 97
Block first atom: 1526
Blocpdb> 14 atoms in block 98
Block first atom: 1540
Blocpdb> 14 atoms in block 99
Block first atom: 1554
Blocpdb> 16 atoms in block 100
Block first atom: 1568
Blocpdb> 7 atoms in block 101
Block first atom: 1584
Blocpdb> 15 atoms in block 102
Block first atom: 1591
Blocpdb> 15 atoms in block 103
Block first atom: 1606
Blocpdb> 12 atoms in block 104
Block first atom: 1621
Blocpdb> 10 atoms in block 105
Block first atom: 1633
Blocpdb> 10 atoms in block 106
Block first atom: 1643
Blocpdb> 15 atoms in block 107
Block first atom: 1653
Blocpdb> 20 atoms in block 108
Block first atom: 1668
Blocpdb> 11 atoms in block 109
Block first atom: 1688
Blocpdb> 7 atoms in block 110
Block first atom: 1699
Blocpdb> 14 atoms in block 111
Block first atom: 1706
Blocpdb> 7 atoms in block 112
Block first atom: 1720
Blocpdb> 24 atoms in block 113
Block first atom: 1727
Blocpdb> 14 atoms in block 114
Block first atom: 1751
Blocpdb> 12 atoms in block 115
Block first atom: 1765
Blocpdb> 12 atoms in block 116
Block first atom: 1777
Blocpdb> 22 atoms in block 117
Block first atom: 1789
Blocpdb> 10 atoms in block 118
Block first atom: 1811
Blocpdb> 14 atoms in block 119
Block first atom: 1821
Blocpdb> 19 atoms in block 120
Block first atom: 1835
Blocpdb> 10 atoms in block 121
Block first atom: 1854
Blocpdb> 22 atoms in block 122
Block first atom: 1864
Blocpdb> 20 atoms in block 123
Block first atom: 1886
Blocpdb> 24 atoms in block 124
Block first atom: 1906
Blocpdb> 19 atoms in block 125
Block first atom: 1930
Blocpdb> 10 atoms in block 126
Block first atom: 1949
Blocpdb> 22 atoms in block 127
Block first atom: 1959
Blocpdb> 22 atoms in block 128
Block first atom: 1981
Blocpdb> 11 atoms in block 129
Block first atom: 2003
Blocpdb> 10 atoms in block 130
Block first atom: 2014
Blocpdb> 10 atoms in block 131
Block first atom: 2024
Blocpdb> 11 atoms in block 132
Block first atom: 2034
Blocpdb> 10 atoms in block 133
Block first atom: 2044
Blocpdb> 133 blocks.
Blocpdb> At most, 24 atoms in each of them.
Blocpdb> At least, 7 atoms in each of them.
Blocpdb> Normal end of Blocpdb.
Diagrtb> Memory allocation for Prepmat.
Diagrtb> Memory allocation for RTB.
Diagrtb> Memory allocation for Diagstd.
Diagrtb> Memory allocation for RTB_to_modes.
Prepmat> Entering in.
Prepmat> Rewriting of the matrix begins.
Prepmat> 1440583 matrix lines read.
Prepmat> Matrix order = 6162
Prepmat> Matrix trace = 3174180.0000
Prepmat> Last element read: 6162 6162 299.1913
Prepmat> 8912 lines saved.
Prepmat> 6985 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: 2054
RTB> Total mass = 2054.0000
RTB> Number of atoms found in matrix: 2054
RTB> Number of blocks = 133
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 370198.0222
RTB> 67341 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: 67341
Diagstd> Projected matrix trace = 370198.0222
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 = 370198.0222
Diagstd> Best zero-eigenvalue found : 0.000000
Diagstd> 6 zero-eigenvalues, that is, below or equal to: 0.0000000
Diagstd> Selected eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 4.7102127 7.8086603 8.3045256 9.3701797
11.6025535 19.9616940 24.4661450 26.4152334 27.8553868
31.9957663 33.6691455 36.0999320 37.9649647 39.5418528
42.3050245 48.1961008 49.8765216 52.9693464 54.1790445
55.9894019 56.3725717 59.1888572 61.2406675 63.6213368
64.6626217 65.7063928 68.0606137 70.4099561 72.7118853
74.2116406 76.5056520 77.4298248 81.9476123 84.7496770
86.2195525 88.6485980 91.6724325 92.9021309 95.0114362
97.1350972 99.3475857 100.9122212 102.1716204 104.7602730
107.7870997 109.3946218 113.8845942 115.4953230 117.3393931
120.0923267 123.9984261 124.4329054 124.9013016 127.4573149
129.8126392 132.3473852 132.4728753 134.1609796 135.8403321
138.1533802 140.8248145 145.1958230 146.5005229 148.1374280
149.9848523 151.2954627 152.7752372 153.9845036 155.4871152
156.8497554 159.8867427 160.7768626 161.9929352 164.6583401
167.6498983 168.4655708 169.5156335 171.1865924 173.0271296
175.3065507 176.3009950 178.1414689 180.2535897 182.2257746
183.8533694 184.7778371 185.7003883 187.8964742 188.6657267
189.7278497 190.4357573 192.1205917 192.9968621 194.7658160
196.0604171 198.2694033 199.1542979 200.1802225 201.6582880
202.7967459
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034297 0.0034321 0.0034325 0.0034328 0.0034335
0.0034341 235.6760972 303.4474863 312.9339596 332.4062949
369.8895572 485.1700426 537.1283226 558.1134724 573.1256919
614.2448701 630.1026809 652.4518575 669.0934533 682.8476003
706.3033327 753.8782818 766.9081614 790.3283979 799.3020948
812.5464445 815.3220808 835.4399859 849.7970869 866.1571110
873.2165025 880.2359325 895.8663222 911.1970751 925.9722736
935.4730850 949.8215975 955.5412030 983.0224413 999.6876020
1008.3194914 1022.4244253 1039.7158340 1046.6660034 1058.4813779
1070.2453996 1082.3654954 1090.8553431 1097.6412531 1111.4593690
1127.4016692 1135.7775127 1158.8514528 1167.0177971 1176.2975681
1190.0162993 1209.2145569 1211.3311934 1213.6089269 1225.9638459
1237.2394806 1249.2603695 1249.8524955 1257.7907328 1265.6384134
1276.3683837 1288.6496915 1308.4958259 1314.3616161 1321.6841453
1329.8999821 1335.6978665 1342.2139977 1347.5155605 1354.0742626
1359.9946603 1373.0979152 1376.9147588 1382.1122540 1393.4363858
1406.0375765 1409.4538463 1413.8396558 1420.7908574 1428.4083551
1437.7863382 1441.8585661 1449.3650842 1457.9319095 1465.8859516
1472.4178612 1476.1150898 1479.7954453 1488.5197307 1491.5636354
1495.7562375 1498.5441028 1505.1585085 1508.5871503 1515.4850191
1520.5133634 1529.0550803 1532.4634384 1536.4055386 1542.0672656
1546.4139944
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 2054
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: 9.9749E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9891E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9916E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9930E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9975E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 4.710
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 7.809
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 8.305
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 9.370
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 11.60
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 19.96
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 24.47
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 26.42
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 27.86
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 32.00
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 33.67
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 36.10
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 37.96
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 39.54
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 42.31
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 48.20
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 49.88
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 52.97
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 54.18
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 55.99
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 56.37
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 59.19
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 61.24
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 63.62
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 64.66
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 65.71
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 68.06
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 70.41
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 72.71
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 74.21
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 76.51
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 77.43
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 81.95
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 84.75
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 86.22
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 88.65
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 91.67
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 92.90
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 95.01
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 97.14
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 99.35
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 100.9
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 102.2
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 104.8
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 107.8
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 109.4
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 113.9
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 115.5
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 117.3
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 120.1
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 124.0
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 124.4
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 124.9
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 127.5
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 129.8
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 132.3
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 132.5
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 134.2
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 135.8
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 138.2
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 140.8
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 145.2
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 146.5
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 148.1
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 150.0
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 151.3
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 152.8
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 154.0
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 155.5
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 156.8
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 159.9
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 160.8
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 162.0
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 164.7
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 167.6
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 168.5
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 169.5
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 171.2
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 173.0
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 175.3
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 176.3
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 178.1
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 180.3
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 182.2
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 183.9
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 184.8
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 185.7
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 187.9
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 188.7
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 189.7
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 190.4
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 192.1
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 193.0
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 194.8
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 196.1
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 198.3
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 199.2
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 200.2
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 201.7
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 202.8
Rtb_to_modes> 106 vectors, with 798 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00001 0.99999 1.00001 1.00003 1.00001
1.00000 0.99998 1.00000 0.99997 1.00001
1.00002 0.99998 1.00001 0.99999 1.00001
1.00003 1.00001 1.00003 1.00000 0.99997
1.00000 0.99998 0.99999 1.00003 0.99999
1.00004 1.00001 1.00002 0.99999 1.00003
0.99999 0.99999 1.00001 1.00001 0.99999
1.00001 0.99999 1.00000 0.99997 0.99997
0.99999 1.00000 1.00000 0.99998 1.00000
0.99999 1.00000 0.99998 1.00002 1.00001
0.99996 0.99995 1.00002 0.99999 1.00001
0.99999 0.99997 1.00000 1.00000 1.00002
1.00002 1.00003 0.99998 0.99999 1.00001
1.00000 0.99998 0.99998 0.99998 0.99998
1.00001 1.00002 0.99996 1.00001 1.00000
1.00002 0.99999 0.99999 1.00001 1.00001
1.00000 1.00000 1.00000 1.00002 0.99998
0.99998 1.00002 0.99999 1.00000 1.00003
1.00002 1.00000 0.99997 1.00000 0.99998
1.00001 1.00002 1.00001 1.00001 1.00001
0.99999 1.00003 1.00001 1.00000 1.00001
1.00002
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 36972 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00001 0.99999 1.00001 1.00003 1.00001
1.00000 0.99998 1.00000 0.99997 1.00001
1.00002 0.99998 1.00001 0.99999 1.00001
1.00003 1.00001 1.00003 1.00000 0.99997
1.00000 0.99998 0.99999 1.00003 0.99999
1.00004 1.00001 1.00002 0.99999 1.00003
0.99999 0.99999 1.00001 1.00001 0.99999
1.00001 0.99999 1.00000 0.99997 0.99997
0.99999 1.00000 1.00000 0.99998 1.00000
0.99999 1.00000 0.99998 1.00002 1.00001
0.99996 0.99995 1.00002 0.99999 1.00001
0.99999 0.99997 1.00000 1.00000 1.00002
1.00002 1.00003 0.99998 0.99999 1.00001
1.00000 0.99998 0.99998 0.99998 0.99998
1.00001 1.00002 0.99996 1.00001 1.00000
1.00002 0.99999 0.99999 1.00001 1.00001
1.00000 1.00000 1.00000 1.00002 0.99998
0.99998 1.00002 0.99999 1.00000 1.00003
1.00002 1.00000 0.99997 1.00000 0.99998
1.00001 1.00002 1.00001 1.00001 1.00001
0.99999 1.00003 1.00001 1.00000 1.00001
1.00002
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> 2404081712023039829.eigenfacs
Openam> file on opening on unit 10:
2404081712023039829.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404081712023039829.atom
Openam> file on opening on unit 11:
2404081712023039829.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 = 252
Last residue number = 384
Number of atoms found = 2054
Mean number per residue = 15.4
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9749E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9891E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9916E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9930E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9975E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 4.710
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 7.809
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 8.305
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 9.370
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 11.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 19.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 24.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 26.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 27.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 32.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 33.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 36.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 37.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 39.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 42.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 48.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 49.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 52.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 54.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 55.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 56.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 59.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 61.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 63.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 64.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 65.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 68.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 70.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 72.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 74.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 76.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 77.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 81.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 84.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 86.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 88.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 91.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 92.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 95.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 97.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 99.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 100.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 102.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 104.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 107.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 109.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 113.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 115.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 117.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 120.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 124.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 124.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 124.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 127.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 129.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 132.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 132.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 134.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 135.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 138.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 140.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 145.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 146.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 148.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 150.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 151.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 152.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 154.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 155.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 156.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 159.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 160.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 162.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 164.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 167.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 168.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 169.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 171.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 173.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 175.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 176.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 178.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 180.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 182.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 183.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 184.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 185.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 187.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 188.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 189.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 190.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 192.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 193.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 194.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 196.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 198.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 199.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 200.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 201.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 202.8
Bfactors> 106 vectors, 6162 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 4.710000
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= 0.823 for 133 C-alpha atoms.
Bfactors> = 0.010 +/- 0.02
Bfactors> = 29.297 +/- 6.10
Bfactors> Shiftng-fct= 29.287
Bfactors> Scaling-fct= 325.362
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404081712023039829 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404081712023039829.eigenfacs
2404081712023039829.atom
calculating perturbed structure for DQ=-80
2404081712023039829.eigenfacs
2404081712023039829.atom
calculating perturbed structure for DQ=-60
2404081712023039829.eigenfacs
2404081712023039829.atom
calculating perturbed structure for DQ=-40
2404081712023039829.eigenfacs
2404081712023039829.atom
calculating perturbed structure for DQ=-20
2404081712023039829.eigenfacs
2404081712023039829.atom
calculating perturbed structure for DQ=0
2404081712023039829.eigenfacs
2404081712023039829.atom
calculating perturbed structure for DQ=20
2404081712023039829.eigenfacs
2404081712023039829.atom
calculating perturbed structure for DQ=40
2404081712023039829.eigenfacs
2404081712023039829.atom
calculating perturbed structure for DQ=60
2404081712023039829.eigenfacs
2404081712023039829.atom
calculating perturbed structure for DQ=80
2404081712023039829.eigenfacs
2404081712023039829.atom
calculating perturbed structure for DQ=100
2404081712023039829.eigenfacs
2404081712023039829.atom
making animated gifs
11 models are in 2404081712023039829.7.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 2404081712023039829.7.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 2404081712023039829.7.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 2404081712023039829 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404081712023039829.eigenfacs
2404081712023039829.atom
calculating perturbed structure for DQ=-80
2404081712023039829.eigenfacs
2404081712023039829.atom
calculating perturbed structure for DQ=-60
2404081712023039829.eigenfacs
2404081712023039829.atom
calculating perturbed structure for DQ=-40
2404081712023039829.eigenfacs
2404081712023039829.atom
calculating perturbed structure for DQ=-20
2404081712023039829.eigenfacs
2404081712023039829.atom
calculating perturbed structure for DQ=0
2404081712023039829.eigenfacs
2404081712023039829.atom
calculating perturbed structure for DQ=20
2404081712023039829.eigenfacs
2404081712023039829.atom
calculating perturbed structure for DQ=40
2404081712023039829.eigenfacs
2404081712023039829.atom
calculating perturbed structure for DQ=60
2404081712023039829.eigenfacs
2404081712023039829.atom
calculating perturbed structure for DQ=80
2404081712023039829.eigenfacs
2404081712023039829.atom
calculating perturbed structure for DQ=100
2404081712023039829.eigenfacs
2404081712023039829.atom
making animated gifs
11 models are in 2404081712023039829.8.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 2404081712023039829.8.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 2404081712023039829.8.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 2404081712023039829 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404081712023039829.eigenfacs
2404081712023039829.atom
calculating perturbed structure for DQ=-80
2404081712023039829.eigenfacs
2404081712023039829.atom
calculating perturbed structure for DQ=-60
2404081712023039829.eigenfacs
2404081712023039829.atom
calculating perturbed structure for DQ=-40
2404081712023039829.eigenfacs
2404081712023039829.atom
calculating perturbed structure for DQ=-20
2404081712023039829.eigenfacs
2404081712023039829.atom
calculating perturbed structure for DQ=0
2404081712023039829.eigenfacs
2404081712023039829.atom
calculating perturbed structure for DQ=20
2404081712023039829.eigenfacs
2404081712023039829.atom
calculating perturbed structure for DQ=40
2404081712023039829.eigenfacs
2404081712023039829.atom
calculating perturbed structure for DQ=60
2404081712023039829.eigenfacs
2404081712023039829.atom
calculating perturbed structure for DQ=80
2404081712023039829.eigenfacs
2404081712023039829.atom
calculating perturbed structure for DQ=100
2404081712023039829.eigenfacs
2404081712023039829.atom
making animated gifs
11 models are in 2404081712023039829.9.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 2404081712023039829.9.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 2404081712023039829.9.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 2404081712023039829 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404081712023039829.eigenfacs
2404081712023039829.atom
calculating perturbed structure for DQ=-80
2404081712023039829.eigenfacs
2404081712023039829.atom
calculating perturbed structure for DQ=-60
2404081712023039829.eigenfacs
2404081712023039829.atom
calculating perturbed structure for DQ=-40
2404081712023039829.eigenfacs
2404081712023039829.atom
calculating perturbed structure for DQ=-20
2404081712023039829.eigenfacs
2404081712023039829.atom
calculating perturbed structure for DQ=0
2404081712023039829.eigenfacs
2404081712023039829.atom
calculating perturbed structure for DQ=20
2404081712023039829.eigenfacs
2404081712023039829.atom
calculating perturbed structure for DQ=40
2404081712023039829.eigenfacs
2404081712023039829.atom
calculating perturbed structure for DQ=60
2404081712023039829.eigenfacs
2404081712023039829.atom
calculating perturbed structure for DQ=80
2404081712023039829.eigenfacs
2404081712023039829.atom
calculating perturbed structure for DQ=100
2404081712023039829.eigenfacs
2404081712023039829.atom
making animated gifs
11 models are in 2404081712023039829.10.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 2404081712023039829.10.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 2404081712023039829.10.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 2404081712023039829 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404081712023039829.eigenfacs
2404081712023039829.atom
calculating perturbed structure for DQ=-80
2404081712023039829.eigenfacs
2404081712023039829.atom
calculating perturbed structure for DQ=-60
2404081712023039829.eigenfacs
2404081712023039829.atom
calculating perturbed structure for DQ=-40
2404081712023039829.eigenfacs
2404081712023039829.atom
calculating perturbed structure for DQ=-20
2404081712023039829.eigenfacs
2404081712023039829.atom
calculating perturbed structure for DQ=0
2404081712023039829.eigenfacs
2404081712023039829.atom
calculating perturbed structure for DQ=20
2404081712023039829.eigenfacs
2404081712023039829.atom
calculating perturbed structure for DQ=40
2404081712023039829.eigenfacs
2404081712023039829.atom
calculating perturbed structure for DQ=60
2404081712023039829.eigenfacs
2404081712023039829.atom
calculating perturbed structure for DQ=80
2404081712023039829.eigenfacs
2404081712023039829.atom
calculating perturbed structure for DQ=100
2404081712023039829.eigenfacs
2404081712023039829.atom
making animated gifs
11 models are in 2404081712023039829.11.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 2404081712023039829.11.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 2404081712023039829.11.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
2404081712023039829.10.pdb
2404081712023039829.11.pdb
2404081712023039829.7.pdb
2404081712023039829.8.pdb
2404081712023039829.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m8.972s
user 0m8.928s
sys 0m0.044s
../../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: 2404081712023039829.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
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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
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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
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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
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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