*** TRANSCRIPTION/DNA 23-JUN-16 5KL2 ***
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 = 2402291147081064783.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 2402291147081064783.atom to be opened.
Openam> File opened: 2402291147081064783.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 = 110
First residue number = 350
Last residue number = 11
Number of atoms found = 2222
Mean number per residue = 20.2
Pdbmat> Coordinate statistics:
= -51.097345 +/- 10.078596 From: -74.876000 To: -23.548000
= -261.436293 +/- 8.773246 From: -284.698000 To: -240.514000
= -53.916758 +/- 9.166036 From: -73.280000 To: -35.115000
Pdbmat> Masses are all set to one.
%Pdbmat-W> residue:'DA ' is not a well known amino-acid.
%Pdbmat-W> residue:'DG ' is not a well known amino-acid.
%Pdbmat-W> residue:'DC ' is not a well known amino-acid.
%Pdbmat-W> residue:'DG ' is not a well known amino-acid.
%Pdbmat-W> residue:'DT ' is not a well known amino-acid.
%Pdbmat-W> residue:'DG ' is not a well known amino-acid.
%Pdbmat-W> residue:'DG ' is not a well known amino-acid.
%Pdbmat-W> residue:'DG ' is not a well known amino-acid.
%Pdbmat-W> residue:'DA ' is not a well known amino-acid.
%Pdbmat-W> ........
%Pdbmat-W> 22 residue(s) not known.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 6.3070 % Filled.
Pdbmat> 1401491 non-zero elements.
Pdbmat> 154261 atom-atom interactions.
Pdbmat> Number per atom= 138.85 +/- 45.82
Maximum number = 229
Minimum number = 22
Pdbmat> Matrix trace = 3.085220E+06
Pdbmat> Larger element = 870.085
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
110 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 = 2402291147081064783.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 2402291147081064783.atom to be opened.
Openam> file on opening on unit 11:
2402291147081064783.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 2222 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> 110 residues.
Blocpdb> 14 atoms in block 1
Block first atom: 1
Blocpdb> 22 atoms in block 2
Block first atom: 15
Blocpdb> 14 atoms in block 3
Block first atom: 37
Blocpdb> 21 atoms in block 4
Block first atom: 51
Blocpdb> 17 atoms in block 5
Block first atom: 72
Blocpdb> 10 atoms in block 6
Block first atom: 89
Blocpdb> 12 atoms in block 7
Block first atom: 99
Blocpdb> 20 atoms in block 8
Block first atom: 111
Blocpdb> 22 atoms in block 9
Block first atom: 131
Blocpdb> 12 atoms in block 10
Block first atom: 153
Blocpdb> 10 atoms in block 11
Block first atom: 165
Blocpdb> 15 atoms in block 12
Block first atom: 175
Blocpdb> 24 atoms in block 13
Block first atom: 190
Blocpdb> 24 atoms in block 14
Block first atom: 214
Blocpdb> 20 atoms in block 15
Block first atom: 238
Blocpdb> 11 atoms in block 16
Block first atom: 258
Blocpdb> 24 atoms in block 17
Block first atom: 269
Blocpdb> 11 atoms in block 18
Block first atom: 293
Blocpdb> 12 atoms in block 19
Block first atom: 304
Blocpdb> 17 atoms in block 20
Block first atom: 316
Blocpdb> 19 atoms in block 21
Block first atom: 333
Blocpdb> 22 atoms in block 22
Block first atom: 352
Blocpdb> 24 atoms in block 23
Block first atom: 374
Blocpdb> 17 atoms in block 24
Block first atom: 398
Blocpdb> 17 atoms in block 25
Block first atom: 415
Blocpdb> 45 atoms in block 26
Block first atom: 432
Blocpdb> 24 atoms in block 27
Block first atom: 477
Blocpdb> 17 atoms in block 28
Block first atom: 501
Blocpdb> 14 atoms in block 29
Block first atom: 518
Blocpdb> 7 atoms in block 30
Block first atom: 532
Blocpdb> 16 atoms in block 31
Block first atom: 539
Blocpdb> 22 atoms in block 32
Block first atom: 555
Blocpdb> 14 atoms in block 33
Block first atom: 577
Blocpdb> 20 atoms in block 34
Block first atom: 591
Blocpdb> 17 atoms in block 35
Block first atom: 611
Blocpdb> 10 atoms in block 36
Block first atom: 628
Blocpdb> 22 atoms in block 37
Block first atom: 638
Blocpdb> 14 atoms in block 38
Block first atom: 660
Blocpdb> 10 atoms in block 39
Block first atom: 674
Blocpdb> 17 atoms in block 40
Block first atom: 684
Blocpdb> 24 atoms in block 41
Block first atom: 701
Blocpdb> 22 atoms in block 42
Block first atom: 725
Blocpdb> 20 atoms in block 43
Block first atom: 747
Blocpdb> 11 atoms in block 44
Block first atom: 767
Blocpdb> 24 atoms in block 45
Block first atom: 778
Blocpdb> 11 atoms in block 46
Block first atom: 802
Blocpdb> 12 atoms in block 47
Block first atom: 813
Blocpdb> 17 atoms in block 48
Block first atom: 825
Blocpdb> 19 atoms in block 49
Block first atom: 842
Blocpdb> 22 atoms in block 50
Block first atom: 861
Blocpdb> 14 atoms in block 51
Block first atom: 883
Blocpdb> 17 atoms in block 52
Block first atom: 897
Blocpdb> 14 atoms in block 53
Block first atom: 914
Blocpdb> 24 atoms in block 54
Block first atom: 928
Blocpdb> 14 atoms in block 55
Block first atom: 952
Blocpdb> 17 atoms in block 56
Block first atom: 966
Blocpdb> 14 atoms in block 57
Block first atom: 983
Blocpdb> 7 atoms in block 58
Block first atom: 997
Blocpdb> 15 atoms in block 59
Block first atom: 1004
Blocpdb> 22 atoms in block 60
Block first atom: 1019
Blocpdb> 14 atoms in block 61
Block first atom: 1041
Blocpdb> 20 atoms in block 62
Block first atom: 1055
Blocpdb> 11 atoms in block 63
Block first atom: 1075
Blocpdb> 10 atoms in block 64
Block first atom: 1086
Blocpdb> 24 atoms in block 65
Block first atom: 1096
Blocpdb> 24 atoms in block 66
Block first atom: 1120
Blocpdb> 14 atoms in block 67
Block first atom: 1144
Blocpdb> 11 atoms in block 68
Block first atom: 1158
Blocpdb> 10 atoms in block 69
Block first atom: 1169
Blocpdb> 17 atoms in block 70
Block first atom: 1179
Blocpdb> 22 atoms in block 71
Block first atom: 1196
Blocpdb> 22 atoms in block 72
Block first atom: 1218
Blocpdb> 20 atoms in block 73
Block first atom: 1240
Blocpdb> 10 atoms in block 74
Block first atom: 1260
Blocpdb> 24 atoms in block 75
Block first atom: 1270
Blocpdb> 11 atoms in block 76
Block first atom: 1294
Blocpdb> 12 atoms in block 77
Block first atom: 1305
Blocpdb> 15 atoms in block 78
Block first atom: 1317
Blocpdb> 19 atoms in block 79
Block first atom: 1332
Blocpdb> 16 atoms in block 80
Block first atom: 1351
Blocpdb> 24 atoms in block 81
Block first atom: 1367
Blocpdb> 17 atoms in block 82
Block first atom: 1391
Blocpdb> 17 atoms in block 83
Block first atom: 1408
Blocpdb> 14 atoms in block 84
Block first atom: 1425
Blocpdb> 17 atoms in block 85
Block first atom: 1439
Blocpdb> 17 atoms in block 86
Block first atom: 1456
Blocpdb> 17 atoms in block 87
Block first atom: 1473
Blocpdb> 7 atoms in block 88
Block first atom: 1490
Blocpdb> 30 atoms in block 89
Block first atom: 1497
Blocpdb> 46 atoms in block 90
Block first atom: 1527
Blocpdb> 48 atoms in block 91
Block first atom: 1573
Blocpdb> 33 atoms in block 92
Block first atom: 1621
Blocpdb> 32 atoms in block 93
Block first atom: 1654
Blocpdb> 33 atoms in block 94
Block first atom: 1686
Blocpdb> 33 atoms in block 95
Block first atom: 1719
Blocpdb> 33 atoms in block 96
Block first atom: 1752
Blocpdb> 32 atoms in block 97
Block first atom: 1785
Blocpdb> 33 atoms in block 98
Block first atom: 1817
Blocpdb> 33 atoms in block 99
Block first atom: 1850
Blocpdb> 30 atoms in block 100
Block first atom: 1883
Blocpdb> 32 atoms in block 101
Block first atom: 1913
Blocpdb> 30 atoms in block 102
Block first atom: 1945
Blocpdb> 32 atoms in block 103
Block first atom: 1975
Blocpdb> 30 atoms in block 104
Block first atom: 2007
Blocpdb> 30 atoms in block 105
Block first atom: 2037
Blocpdb> 30 atoms in block 106
Block first atom: 2067
Blocpdb> 32 atoms in block 107
Block first atom: 2097
Blocpdb> 30 atoms in block 108
Block first atom: 2129
Blocpdb> 33 atoms in block 109
Block first atom: 2159
Blocpdb> 31 atoms in block 110
Block first atom: 2191
Blocpdb> 110 blocks.
Blocpdb> At most, 48 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> 1401601 matrix lines read.
Prepmat> Matrix order = 6666
Prepmat> Matrix trace = 3085220.0000
Prepmat> Last element read: 6666 6666 296.1546
Prepmat> 6106 lines saved.
Prepmat> 4847 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: 2222
RTB> Total mass = 2222.0000
RTB> Number of atoms found in matrix: 2222
RTB> Number of blocks = 110
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 268750.5287
RTB> 43638 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 = 660
Diagstd> Nb of non-zero elements: 43638
Diagstd> Projected matrix trace = 268750.5287
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 660 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 268750.5287
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 4.2684337 5.3660831 6.2114650 7.6616051
11.6379523 12.9751931 16.4610793 17.1537693 19.0439856
22.0268245 22.8480501 25.5076454 26.0611448 26.2374197
27.5608777 28.9874228 31.0200403 31.9699155 33.7351600
36.5722539 38.2851397 39.0356450 41.9416461 43.2962945
46.3183231 48.0263596 51.0534285 53.7595514 56.3566191
58.1663821 59.6006501 61.4677925 62.2413210 64.9996356
66.8860901 68.4021971 69.4081215 71.6979911 72.6100357
78.3389274 78.9430101 80.7572458 83.3367595 84.8839919
86.2875709 88.3544161 91.4841101 92.6545689 93.6615199
96.3225800 97.0150988 99.7294736 100.6173443 102.9517165
105.0780082 107.8366441 109.7217603 111.2297828 112.1247695
113.6701736 115.8360935 116.5080596 117.3545271 120.7015785
121.6416366 122.7075963 123.9737048 126.8047400 127.1128397
129.3703541 131.5007572 133.1405465 134.4074390 137.2584294
138.3478738 139.9806201 140.3837279 142.6586435 143.2869469
145.5686091 148.3303092 148.8685671 151.0785074 151.6666687
152.5416827 155.1909270 157.5848517 159.1244108 160.7223397
160.8652979 162.0338325 163.3267093 164.2132591 167.6943338
169.5045136 170.8361646 172.5380204 173.2847169 173.3657662
175.0282874
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034327 0.0034335 0.0034346 0.0034358 0.0034360
0.0034364 224.3517969 251.5498011 270.6401973 300.5765969
370.4533840 391.1579804 440.5796506 449.7540287 473.8863531
509.6490586 519.0627355 548.4416971 554.3601771 556.2318350
570.0878722 584.6555587 604.8065128 613.9966821 630.7200939
656.7062410 671.9089070 678.4626751 703.2633999 714.5302912
739.0463806 752.5495743 775.9035457 796.2016961 815.2067106
828.1925248 838.3411396 851.3714619 856.7116665 875.4890954
888.1026887 898.1116010 904.6913239 919.4937337 925.3235291
961.1343320 964.8329378 975.8566585 991.3193532 1000.4794624
1008.7171433 1020.7265490 1038.6473426 1045.2705154 1050.9350602
1065.7597971 1069.5841176 1084.4437836 1089.2603757 1101.8236153
1113.1436068 1127.6607445 1137.4744846 1145.2645683 1149.8629002
1157.7600029 1168.7381801 1172.1232075 1176.3734229 1193.0310730
1197.6678941 1202.9040986 1209.0940115 1222.8213823 1224.3060362
1235.1299812 1245.2581907 1252.9982025 1258.9455104 1272.2275406
1277.2665094 1284.7813888 1286.6299771 1297.0129890 1299.8660316
1310.1745120 1322.5443098 1324.9417470 1334.7398379 1337.3354413
1341.1876529 1352.7839563 1363.1778286 1369.8205733 1376.6812682
1377.2933926 1382.2867097 1387.7904235 1391.5518420 1406.2238989
1413.7932824 1419.3358963 1426.3880304 1429.4712031 1429.8054624
1436.6447892
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 2222
Rtb_to_modes> Number of blocs = 110
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: 9.9925E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9976E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 1.0004E-09
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0011E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0012E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0014E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 4.268
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 5.366
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 6.211
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 7.662
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 11.64
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 12.98
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 16.46
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 17.15
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 19.04
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 22.03
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 22.85
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 25.51
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 26.06
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 26.24
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 27.56
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 28.99
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 31.02
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 31.97
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 33.74
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 36.57
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 38.29
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 39.04
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 41.94
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 43.30
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 46.32
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 48.03
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 51.05
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 53.76
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 56.36
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 58.17
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 59.60
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 61.47
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 62.24
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 65.00
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 66.89
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 68.40
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 69.41
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 71.70
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 72.61
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 78.34
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 78.94
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 80.76
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 83.34
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 84.88
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 86.29
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 88.35
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 91.48
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 92.65
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 93.66
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 96.32
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 97.02
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 99.73
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 100.6
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 103.0
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 105.1
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 107.8
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 109.7
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 111.2
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 112.1
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 113.7
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 115.8
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 116.5
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 117.4
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 120.7
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 121.6
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 122.7
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 124.0
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 126.8
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 127.1
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 129.4
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 131.5
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 133.1
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 134.4
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 137.3
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 138.3
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 140.0
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 140.4
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 142.7
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 143.3
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 145.6
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 148.3
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 148.9
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 151.1
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 151.7
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 152.5
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 155.2
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 157.6
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 159.1
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 160.7
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 160.9
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 162.0
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 163.3
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 164.2
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 167.7
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 169.5
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 170.8
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 172.5
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 173.3
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 173.4
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 175.0
Rtb_to_modes> 106 vectors, with 660 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99999 1.00000 1.00001 0.99999 1.00002
1.00000 0.99996 1.00001 1.00000 1.00001
0.99998 0.99996 1.00000 0.99999 1.00001
1.00003 0.99998 1.00002 0.99998 1.00000
1.00004 1.00001 1.00003 0.99995 1.00001
1.00001 1.00001 0.99997 1.00000 0.99999
0.99998 0.99996 1.00000 0.99999 0.99999
1.00004 0.99997 0.99998 0.99999 1.00000
1.00000 0.99997 0.99998 0.99996 1.00001
0.99998 0.99999 1.00003 1.00003 0.99998
1.00000 1.00002 0.99999 1.00000 0.99999
1.00002 0.99997 1.00001 1.00001 0.99999
0.99999 1.00000 0.99998 1.00001 0.99999
0.99998 1.00001 0.99998 0.99998 0.99998
0.99999 1.00001 0.99996 1.00004 1.00001
0.99998 0.99999 1.00002 1.00000 1.00000
0.99998 0.99998 0.99999 0.99997 0.99999
0.99997 1.00002 1.00000 0.99998 1.00001
1.00000 1.00001 1.00002 0.99995 1.00000
1.00005 0.99995 1.00000 1.00001 1.00001
0.99998 1.00001 1.00001 0.99997 1.00001
0.99999
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 39996 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99999 1.00000 1.00001 0.99999 1.00002
1.00000 0.99996 1.00001 1.00000 1.00001
0.99998 0.99996 1.00000 0.99999 1.00001
1.00003 0.99998 1.00002 0.99998 1.00000
1.00004 1.00001 1.00003 0.99995 1.00001
1.00001 1.00001 0.99997 1.00000 0.99999
0.99998 0.99996 1.00000 0.99999 0.99999
1.00004 0.99997 0.99998 0.99999 1.00000
1.00000 0.99997 0.99998 0.99996 1.00001
0.99998 0.99999 1.00003 1.00003 0.99998
1.00000 1.00002 0.99999 1.00000 0.99999
1.00002 0.99997 1.00001 1.00001 0.99999
0.99999 1.00000 0.99998 1.00001 0.99999
0.99998 1.00001 0.99998 0.99998 0.99998
0.99999 1.00001 0.99996 1.00004 1.00001
0.99998 0.99999 1.00002 1.00000 1.00000
0.99998 0.99998 0.99999 0.99997 0.99999
0.99997 1.00002 1.00000 0.99998 1.00001
1.00000 1.00001 1.00002 0.99995 1.00000
1.00005 0.99995 1.00000 1.00001 1.00001
0.99998 1.00001 1.00001 0.99997 1.00001
0.99999
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> 2402291147081064783.eigenfacs
Openam> file on opening on unit 10:
2402291147081064783.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2402291147081064783.atom
Openam> file on opening on unit 11:
2402291147081064783.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 = 110
First residue number = 350
Last residue number = 11
Number of atoms found = 2222
Mean number per residue = 20.2
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9925E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9976E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0004E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0011E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0012E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0014E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 4.268
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 5.366
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 6.211
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 7.662
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 11.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 12.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 16.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 17.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 19.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 22.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 22.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 25.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 26.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 26.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 27.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 28.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 31.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 31.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 33.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 36.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 38.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 39.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 41.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 43.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 46.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 48.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 51.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 53.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 56.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 58.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 59.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 61.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 62.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 65.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 66.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 68.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 69.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 71.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 72.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 78.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 78.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 80.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 83.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 84.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 86.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 88.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 91.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 92.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 93.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 96.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 97.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 99.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 100.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 103.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 105.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 107.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 109.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 111.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 112.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 113.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 115.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 116.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 117.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 120.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 121.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 122.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 124.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 126.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 127.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 129.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 131.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 133.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 134.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 137.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 138.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 140.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 140.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 142.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 143.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 145.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 148.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 148.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 151.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 151.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 152.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 155.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 157.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 159.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 160.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 160.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 162.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 163.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 164.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 167.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 169.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 170.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 172.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 173.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 173.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 175.0
Bfactors> 106 vectors, 6666 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 : 4.268000
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= 0.783 for 89 C-alpha atoms.
Bfactors> = 0.014 +/- 0.02
Bfactors> = 26.208 +/- 12.01
Bfactors> Shiftng-fct= 26.195
Bfactors> Scaling-fct= 653.676
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2402291147081064783 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2402291147081064783.eigenfacs
2402291147081064783.atom
calculating perturbed structure for DQ=-80
2402291147081064783.eigenfacs
2402291147081064783.atom
calculating perturbed structure for DQ=-60
2402291147081064783.eigenfacs
2402291147081064783.atom
calculating perturbed structure for DQ=-40
2402291147081064783.eigenfacs
2402291147081064783.atom
calculating perturbed structure for DQ=-20
2402291147081064783.eigenfacs
2402291147081064783.atom
calculating perturbed structure for DQ=0
2402291147081064783.eigenfacs
2402291147081064783.atom
calculating perturbed structure for DQ=20
2402291147081064783.eigenfacs
2402291147081064783.atom
calculating perturbed structure for DQ=40
2402291147081064783.eigenfacs
2402291147081064783.atom
calculating perturbed structure for DQ=60
2402291147081064783.eigenfacs
2402291147081064783.atom
calculating perturbed structure for DQ=80
2402291147081064783.eigenfacs
2402291147081064783.atom
calculating perturbed structure for DQ=100
2402291147081064783.eigenfacs
2402291147081064783.atom
making animated gifs
11 models are in 2402291147081064783.7.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 2402291147081064783.7.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 2402291147081064783.7.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 2402291147081064783 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2402291147081064783.eigenfacs
2402291147081064783.atom
calculating perturbed structure for DQ=-80
2402291147081064783.eigenfacs
2402291147081064783.atom
calculating perturbed structure for DQ=-60
2402291147081064783.eigenfacs
2402291147081064783.atom
calculating perturbed structure for DQ=-40
2402291147081064783.eigenfacs
2402291147081064783.atom
calculating perturbed structure for DQ=-20
2402291147081064783.eigenfacs
2402291147081064783.atom
calculating perturbed structure for DQ=0
2402291147081064783.eigenfacs
2402291147081064783.atom
calculating perturbed structure for DQ=20
2402291147081064783.eigenfacs
2402291147081064783.atom
calculating perturbed structure for DQ=40
2402291147081064783.eigenfacs
2402291147081064783.atom
calculating perturbed structure for DQ=60
2402291147081064783.eigenfacs
2402291147081064783.atom
calculating perturbed structure for DQ=80
2402291147081064783.eigenfacs
2402291147081064783.atom
calculating perturbed structure for DQ=100
2402291147081064783.eigenfacs
2402291147081064783.atom
making animated gifs
11 models are in 2402291147081064783.8.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 2402291147081064783.8.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 2402291147081064783.8.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 2402291147081064783 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2402291147081064783.eigenfacs
2402291147081064783.atom
calculating perturbed structure for DQ=-80
2402291147081064783.eigenfacs
2402291147081064783.atom
calculating perturbed structure for DQ=-60
2402291147081064783.eigenfacs
2402291147081064783.atom
calculating perturbed structure for DQ=-40
2402291147081064783.eigenfacs
2402291147081064783.atom
calculating perturbed structure for DQ=-20
2402291147081064783.eigenfacs
2402291147081064783.atom
calculating perturbed structure for DQ=0
2402291147081064783.eigenfacs
2402291147081064783.atom
calculating perturbed structure for DQ=20
2402291147081064783.eigenfacs
2402291147081064783.atom
calculating perturbed structure for DQ=40
2402291147081064783.eigenfacs
2402291147081064783.atom
calculating perturbed structure for DQ=60
2402291147081064783.eigenfacs
2402291147081064783.atom
calculating perturbed structure for DQ=80
2402291147081064783.eigenfacs
2402291147081064783.atom
calculating perturbed structure for DQ=100
2402291147081064783.eigenfacs
2402291147081064783.atom
making animated gifs
11 models are in 2402291147081064783.9.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 2402291147081064783.9.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 2402291147081064783.9.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 2402291147081064783 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2402291147081064783.eigenfacs
2402291147081064783.atom
calculating perturbed structure for DQ=-80
2402291147081064783.eigenfacs
2402291147081064783.atom
calculating perturbed structure for DQ=-60
2402291147081064783.eigenfacs
2402291147081064783.atom
calculating perturbed structure for DQ=-40
2402291147081064783.eigenfacs
2402291147081064783.atom
calculating perturbed structure for DQ=-20
2402291147081064783.eigenfacs
2402291147081064783.atom
calculating perturbed structure for DQ=0
2402291147081064783.eigenfacs
2402291147081064783.atom
calculating perturbed structure for DQ=20
2402291147081064783.eigenfacs
2402291147081064783.atom
calculating perturbed structure for DQ=40
2402291147081064783.eigenfacs
2402291147081064783.atom
calculating perturbed structure for DQ=60
2402291147081064783.eigenfacs
2402291147081064783.atom
calculating perturbed structure for DQ=80
2402291147081064783.eigenfacs
2402291147081064783.atom
calculating perturbed structure for DQ=100
2402291147081064783.eigenfacs
2402291147081064783.atom
making animated gifs
11 models are in 2402291147081064783.10.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 2402291147081064783.10.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 2402291147081064783.10.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 2402291147081064783 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2402291147081064783.eigenfacs
2402291147081064783.atom
calculating perturbed structure for DQ=-80
2402291147081064783.eigenfacs
2402291147081064783.atom
calculating perturbed structure for DQ=-60
2402291147081064783.eigenfacs
2402291147081064783.atom
calculating perturbed structure for DQ=-40
2402291147081064783.eigenfacs
2402291147081064783.atom
calculating perturbed structure for DQ=-20
2402291147081064783.eigenfacs
2402291147081064783.atom
calculating perturbed structure for DQ=0
2402291147081064783.eigenfacs
2402291147081064783.atom
calculating perturbed structure for DQ=20
2402291147081064783.eigenfacs
2402291147081064783.atom
calculating perturbed structure for DQ=40
2402291147081064783.eigenfacs
2402291147081064783.atom
calculating perturbed structure for DQ=60
2402291147081064783.eigenfacs
2402291147081064783.atom
calculating perturbed structure for DQ=80
2402291147081064783.eigenfacs
2402291147081064783.atom
calculating perturbed structure for DQ=100
2402291147081064783.eigenfacs
2402291147081064783.atom
making animated gifs
11 models are in 2402291147081064783.11.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 2402291147081064783.11.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 2402291147081064783.11.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
2402291147081064783.10.pdb
2402291147081064783.11.pdb
2402291147081064783.7.pdb
2402291147081064783.8.pdb
2402291147081064783.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m6.504s
user 0m6.451s
sys 0m0.052s
../../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: 2402291147081064783.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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