*** ***
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 = 240227210820858749.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 240227210820858749.atom to be opened.
Openam> File opened: 240227210820858749.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 = 116
First residue number = 338
Last residue number = 453
Number of atoms found = 1835
Mean number per residue = 15.8
Pdbmat> Coordinate statistics:
= -46.973520 +/- 9.660559 From: -70.310000 To: -25.540000
= 8.231496 +/- 5.342987 From: -5.500000 To: 21.298000
= 14.964868 +/- 14.504062 From: -15.998000 To: 43.656000
Pdbmat> Masses are all set to one.
%Pdbmat-W> residue:'HSD ' is not a well known amino-acid.
%Pdbmat-W> residue:'HSD ' is not a well known amino-acid.
%Pdbmat-W> residue:'HSD ' is not a well known amino-acid.
%Pdbmat-W> residue:'HSD ' is not a well known amino-acid.
%Pdbmat-W> 4 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 8.0286 % Filled.
Pdbmat> 1216749 non-zero elements.
Pdbmat> 133991 atom-atom interactions.
Pdbmat> Number per atom= 146.04 +/- 45.72
Maximum number = 255
Minimum number = 30
Pdbmat> Matrix trace = 2.679820E+06
Pdbmat> Larger element = 908.720
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
116 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 = 240227210820858749.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 240227210820858749.atom to be opened.
Openam> file on opening on unit 11:
240227210820858749.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 1835 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> 116 residues.
Blocpdb> 17 atoms in block 1
Block first atom: 1
Blocpdb> 16 atoms in block 2
Block first atom: 18
Blocpdb> 14 atoms in block 3
Block first atom: 34
Blocpdb> 19 atoms in block 4
Block first atom: 48
Blocpdb> 12 atoms in block 5
Block first atom: 67
Blocpdb> 24 atoms in block 6
Block first atom: 79
Blocpdb> 21 atoms in block 7
Block first atom: 103
Blocpdb> 17 atoms in block 8
Block first atom: 124
Blocpdb> 14 atoms in block 9
Block first atom: 141
Blocpdb> 10 atoms in block 10
Block first atom: 155
Blocpdb> 19 atoms in block 11
Block first atom: 165
Blocpdb> 15 atoms in block 12
Block first atom: 184
Blocpdb> 15 atoms in block 13
Block first atom: 199
Blocpdb> 16 atoms in block 14
Block first atom: 214
Blocpdb> 19 atoms in block 15
Block first atom: 230
Blocpdb> 11 atoms in block 16
Block first atom: 249
Blocpdb> 24 atoms in block 17
Block first atom: 260
Blocpdb> 19 atoms in block 18
Block first atom: 284
Blocpdb> 19 atoms in block 19
Block first atom: 303
Blocpdb> 11 atoms in block 20
Block first atom: 322
Blocpdb> 10 atoms in block 21
Block first atom: 333
Blocpdb> 15 atoms in block 22
Block first atom: 343
Blocpdb> 12 atoms in block 23
Block first atom: 358
Blocpdb> 14 atoms in block 24
Block first atom: 370
Blocpdb> 19 atoms in block 25
Block first atom: 384
Blocpdb> 17 atoms in block 26
Block first atom: 403
Blocpdb> 10 atoms in block 27
Block first atom: 420
Blocpdb> 17 atoms in block 28
Block first atom: 430
Blocpdb> 7 atoms in block 29
Block first atom: 447
Blocpdb> 15 atoms in block 30
Block first atom: 454
Blocpdb> 19 atoms in block 31
Block first atom: 469
Blocpdb> 11 atoms in block 32
Block first atom: 488
Blocpdb> 14 atoms in block 33
Block first atom: 499
Blocpdb> 12 atoms in block 34
Block first atom: 513
Blocpdb> 16 atoms in block 35
Block first atom: 525
Blocpdb> 15 atoms in block 36
Block first atom: 541
Blocpdb> 16 atoms in block 37
Block first atom: 556
Blocpdb> 16 atoms in block 38
Block first atom: 572
Blocpdb> 22 atoms in block 39
Block first atom: 588
Blocpdb> 12 atoms in block 40
Block first atom: 610
Blocpdb> 17 atoms in block 41
Block first atom: 622
Blocpdb> 20 atoms in block 42
Block first atom: 639
Blocpdb> 17 atoms in block 43
Block first atom: 659
Blocpdb> 14 atoms in block 44
Block first atom: 676
Blocpdb> 17 atoms in block 45
Block first atom: 690
Blocpdb> 15 atoms in block 46
Block first atom: 707
Blocpdb> 7 atoms in block 47
Block first atom: 722
Blocpdb> 21 atoms in block 48
Block first atom: 729
Blocpdb> 17 atoms in block 49
Block first atom: 750
Blocpdb> 17 atoms in block 50
Block first atom: 767
Blocpdb> 12 atoms in block 51
Block first atom: 784
Blocpdb> 19 atoms in block 52
Block first atom: 796
Blocpdb> 14 atoms in block 53
Block first atom: 815
Blocpdb> 10 atoms in block 54
Block first atom: 829
Blocpdb> 17 atoms in block 55
Block first atom: 839
Blocpdb> 17 atoms in block 56
Block first atom: 856
Blocpdb> 7 atoms in block 57
Block first atom: 873
Blocpdb> 24 atoms in block 58
Block first atom: 880
Blocpdb> 16 atoms in block 59
Block first atom: 904
Blocpdb> 7 atoms in block 60
Block first atom: 920
Blocpdb> 14 atoms in block 61
Block first atom: 927
Blocpdb> 19 atoms in block 62
Block first atom: 941
Blocpdb> 19 atoms in block 63
Block first atom: 960
Blocpdb> 17 atoms in block 64
Block first atom: 979
Blocpdb> 19 atoms in block 65
Block first atom: 996
Blocpdb> 7 atoms in block 66
Block first atom: 1015
Blocpdb> 11 atoms in block 67
Block first atom: 1022
Blocpdb> 22 atoms in block 68
Block first atom: 1033
Blocpdb> 19 atoms in block 69
Block first atom: 1055
Blocpdb> 19 atoms in block 70
Block first atom: 1074
Blocpdb> 7 atoms in block 71
Block first atom: 1093
Blocpdb> 14 atoms in block 72
Block first atom: 1100
Blocpdb> 7 atoms in block 73
Block first atom: 1114
Blocpdb> 22 atoms in block 74
Block first atom: 1121
Blocpdb> 19 atoms in block 75
Block first atom: 1143
Blocpdb> 11 atoms in block 76
Block first atom: 1162
Blocpdb> 15 atoms in block 77
Block first atom: 1173
Blocpdb> 19 atoms in block 78
Block first atom: 1188
Blocpdb> 15 atoms in block 79
Block first atom: 1207
Blocpdb> 15 atoms in block 80
Block first atom: 1222
Blocpdb> 14 atoms in block 81
Block first atom: 1237
Blocpdb> 15 atoms in block 82
Block first atom: 1251
Blocpdb> 16 atoms in block 83
Block first atom: 1266
Blocpdb> 17 atoms in block 84
Block first atom: 1282
Blocpdb> 15 atoms in block 85
Block first atom: 1299
Blocpdb> 17 atoms in block 86
Block first atom: 1314
Blocpdb> 17 atoms in block 87
Block first atom: 1331
Blocpdb> 14 atoms in block 88
Block first atom: 1348
Blocpdb> 19 atoms in block 89
Block first atom: 1362
Blocpdb> 19 atoms in block 90
Block first atom: 1381
Blocpdb> 14 atoms in block 91
Block first atom: 1400
Blocpdb> 11 atoms in block 92
Block first atom: 1414
Blocpdb> 24 atoms in block 93
Block first atom: 1425
Blocpdb> 24 atoms in block 94
Block first atom: 1449
Blocpdb> 15 atoms in block 95
Block first atom: 1473
Blocpdb> 11 atoms in block 96
Block first atom: 1488
Blocpdb> 19 atoms in block 97
Block first atom: 1499
Blocpdb> 24 atoms in block 98
Block first atom: 1518
Blocpdb> 16 atoms in block 99
Block first atom: 1542
Blocpdb> 10 atoms in block 100
Block first atom: 1558
Blocpdb> 11 atoms in block 101
Block first atom: 1568
Blocpdb> 17 atoms in block 102
Block first atom: 1579
Blocpdb> 15 atoms in block 103
Block first atom: 1596
Blocpdb> 22 atoms in block 104
Block first atom: 1611
Blocpdb> 17 atoms in block 105
Block first atom: 1633
Blocpdb> 11 atoms in block 106
Block first atom: 1650
Blocpdb> 14 atoms in block 107
Block first atom: 1661
Blocpdb> 19 atoms in block 108
Block first atom: 1675
Blocpdb> 17 atoms in block 109
Block first atom: 1694
Blocpdb> 24 atoms in block 110
Block first atom: 1711
Blocpdb> 16 atoms in block 111
Block first atom: 1735
Blocpdb> 19 atoms in block 112
Block first atom: 1751
Blocpdb> 17 atoms in block 113
Block first atom: 1770
Blocpdb> 12 atoms in block 114
Block first atom: 1787
Blocpdb> 19 atoms in block 115
Block first atom: 1799
Blocpdb> 18 atoms in block 116
Block first atom: 1817
Blocpdb> 116 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> 1216865 matrix lines read.
Prepmat> Matrix order = 5505
Prepmat> Matrix trace = 2679820.0000
Prepmat> Last element read: 5505 5505 382.2644
Prepmat> 6787 lines saved.
Prepmat> 5295 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: 1835
RTB> Total mass = 1835.0000
RTB> Number of atoms found in matrix: 1835
RTB> Number of blocks = 116
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 298593.8799
RTB> 51936 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 = 696
Diagstd> Nb of non-zero elements: 51936
Diagstd> Projected matrix trace = 298593.8799
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 696 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 298593.8799
Diagstd> Best zero-eigenvalue found : 0.000000
Diagstd> 6 zero-eigenvalues, that is, below or equal to: 0.0000000
Diagstd> Selected eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 3.0187276 3.4028693 4.0495503 12.0643393
13.5034087 15.0862405 17.1455573 23.9991912 27.4845623
29.8357917 32.6828273 34.8456626 36.6853128 37.3323222
42.8157098 43.9485043 48.1600640 49.4388091 52.7521564
53.6576687 60.3483485 63.7096903 65.8153277 66.3257359
67.0394915 71.6358125 72.8382319 78.6366050 80.7393620
82.6490373 87.2765291 89.0043759 89.9978739 92.3953969
94.7620291 98.4713983 100.8611608 102.9630423 105.9487646
108.0959657 109.7081308 113.8519764 116.8100058 118.0090825
119.1128755 120.8856519 121.5329159 124.0647660 125.9933801
130.8888796 131.5058262 133.3374294 134.3731151 136.0092128
139.0261045 143.3195932 145.2798238 147.2069882 149.4719042
149.6971103 151.4593566 153.1734938 154.9150358 158.2401119
159.0013604 160.0153991 162.5597326 165.3123429 167.5617636
168.7994049 171.1463953 172.7497169 174.2132375 175.3192879
177.5864176 178.5363829 180.6012129 183.3234363 185.9544617
186.0889903 186.9291683 187.2521299 188.8988721 189.9252128
191.3492199 193.7758921 194.5483087 195.6552319 196.9302041
197.2420508 198.4598407 200.4161516 200.8413824 202.6311418
203.9596677 205.2052172 205.8905493 208.4700493 210.2861101
211.0469329
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034312 0.0034325 0.0034340 0.0034340 0.0034342
0.0034346 188.6719100 200.3170501 218.5237670 377.1786064
399.0405100 421.7798169 449.6463613 531.9778908 569.2980452
593.1493562 620.8048338 641.0171425 657.7205228 663.4951964
710.5536166 719.8919708 753.5963875 763.5355821 788.7064435
795.4468754 843.5833027 866.7583363 880.9653034 884.3747182
889.1205253 919.0949412 926.7764247 962.9586927 975.7486000
987.2205339 1014.4812239 1024.4740446 1030.1759459 1043.8075838
1057.0911965 1077.5820113 1090.5793281 1101.8842196 1117.7462686
1129.0158089 1137.4038346 1158.6854872 1173.6410819 1179.6495251
1185.1535855 1193.9404296 1197.1325493 1209.5379820 1218.9029944
1242.3576979 1245.2821912 1253.9243017 1258.7847503 1266.4249083
1280.3934898 1300.0141030 1308.8742766 1317.5269088 1327.6239059
1328.6236806 1336.4211314 1343.9623099 1351.5809632 1366.0090321
1369.2908319 1373.6502509 1384.5280805 1396.2009231 1405.6679461
1410.8496535 1420.6240362 1427.2628195 1433.2958918 1437.8385696
1447.1053643 1450.9707120 1459.3370600 1470.2943044 1480.8074197
1481.3429672 1484.6832782 1485.9652844 1492.4849576 1496.5340104
1502.1338342 1511.6287830 1514.6385639 1518.9413781 1523.8823740
1525.0884603 1529.7892314 1537.3106629 1538.9406852 1545.7824636
1550.8415501 1555.5697150 1558.1651491 1567.8955042 1574.7099587
1577.5560654
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 1835
Rtb_to_modes> Number of blocs = 116
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: 9.9839E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9914E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0004E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 3.019
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 3.403
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 4.050
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 12.06
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 13.50
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 15.09
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 17.15
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 24.00
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 27.48
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 29.84
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 32.68
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 34.85
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 36.69
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 37.33
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 42.82
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 43.95
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 48.16
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 49.44
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 52.75
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 53.66
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 60.35
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 63.71
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 65.82
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 66.33
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 67.04
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 71.64
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 72.84
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 78.64
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 80.74
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 82.65
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 87.28
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 89.00
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 90.00
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 92.40
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 94.76
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 98.47
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 100.9
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 103.0
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 105.9
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 108.1
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 109.7
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 113.9
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 116.8
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 118.0
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 119.1
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 120.9
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 121.5
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 124.1
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 126.0
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 130.9
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 131.5
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 133.3
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 134.4
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 136.0
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 139.0
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 143.3
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 145.3
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 147.2
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 149.5
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 149.7
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 151.5
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 153.2
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 154.9
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 158.2
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 159.0
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 160.0
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 162.6
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 165.3
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 167.6
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 168.8
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 171.1
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 172.7
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 174.2
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 175.3
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 177.6
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 178.5
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 180.6
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 183.3
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 186.0
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 186.1
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 186.9
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 187.3
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 188.9
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 189.9
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 191.3
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 193.8
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 194.5
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 195.7
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 196.9
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 197.2
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 198.5
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 200.4
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 200.8
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 202.6
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 204.0
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 205.2
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 205.9
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 208.5
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 210.3
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 211.0
Rtb_to_modes> 106 vectors, with 696 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99998 1.00001 0.99999 0.99997 1.00003
0.99998 1.00001 1.00003 0.99998 1.00003
1.00000 1.00000 0.99999 0.99999 0.99999
0.99997 1.00002 0.99999 0.99998 0.99998
0.99999 1.00004 1.00001 1.00000 1.00003
0.99997 1.00000 1.00000 1.00005 1.00001
1.00001 1.00001 0.99996 1.00001 0.99998
0.99998 1.00002 1.00001 0.99997 1.00000
0.99999 0.99996 0.99997 1.00002 1.00000
0.99997 0.99998 1.00000 0.99998 0.99997
1.00002 1.00000 1.00001 0.99998 1.00000
0.99998 0.99999 0.99998 0.99999 1.00001
0.99998 1.00000 0.99999 1.00000 0.99998
1.00001 0.99998 1.00002 1.00002 0.99999
1.00000 0.99999 1.00002 1.00003 0.99997
1.00002 0.99999 1.00004 1.00000 0.99997
1.00000 1.00002 1.00002 1.00001 0.99999
0.99996 1.00002 1.00004 0.99999 0.99998
1.00002 0.99999 1.00003 0.99999 0.99998
1.00002 0.99999 0.99998 0.99999 0.99999
1.00001 1.00000 1.00000 0.99999 0.99997
0.99996
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 33030 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99998 1.00001 0.99999 0.99997 1.00003
0.99998 1.00001 1.00003 0.99998 1.00003
1.00000 1.00000 0.99999 0.99999 0.99999
0.99997 1.00002 0.99999 0.99998 0.99998
0.99999 1.00004 1.00001 1.00000 1.00003
0.99997 1.00000 1.00000 1.00005 1.00001
1.00001 1.00001 0.99996 1.00001 0.99998
0.99998 1.00002 1.00001 0.99997 1.00000
0.99999 0.99996 0.99997 1.00002 1.00000
0.99997 0.99998 1.00000 0.99998 0.99997
1.00002 1.00000 1.00001 0.99998 1.00000
0.99998 0.99999 0.99998 0.99999 1.00001
0.99998 1.00000 0.99999 1.00000 0.99998
1.00001 0.99998 1.00002 1.00002 0.99999
1.00000 0.99999 1.00002 1.00003 0.99997
1.00002 0.99999 1.00004 1.00000 0.99997
1.00000 1.00002 1.00002 1.00001 0.99999
0.99996 1.00002 1.00004 0.99999 0.99998
1.00002 0.99999 1.00003 0.99999 0.99998
1.00002 0.99999 0.99998 0.99999 0.99999
1.00001 1.00000 1.00000 0.99999 0.99997
0.99996
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> 240227210820858749.eigenfacs
Openam> file on opening on unit 10:
240227210820858749.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240227210820858749.atom
Openam> file on opening on unit 11:
240227210820858749.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 = 116
First residue number = 338
Last residue number = 453
Number of atoms found = 1835
Mean number per residue = 15.8
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9839E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9914E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0004E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 3.019
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 3.403
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 4.050
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 12.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 13.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 15.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 17.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 24.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 27.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 29.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 32.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 34.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 36.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 37.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 42.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 43.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 48.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 49.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 52.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 53.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 60.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 63.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 65.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 66.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 67.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 71.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 72.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 78.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 80.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 82.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 87.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 89.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 90.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 92.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 94.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 98.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 100.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 103.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 105.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 108.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 109.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 113.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 116.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 118.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 119.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 120.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 121.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 124.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 126.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 130.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 131.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 133.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 134.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 136.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 139.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 143.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 145.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 147.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 149.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 149.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 151.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 153.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 154.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 158.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 159.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 160.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 162.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 165.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 167.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 168.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 171.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 172.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 174.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 175.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 177.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 178.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 180.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 183.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 186.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 186.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 186.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 187.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 188.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 189.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 191.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 193.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 194.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 195.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 196.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 197.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 198.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 200.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 200.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 202.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 204.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 205.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 205.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 208.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 210.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 211.0
Bfactors> 106 vectors, 5505 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 3.019000
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-Wn> Experimental B-factors are nearly constant !
Bfactors> = 0.014 +/- 0.01
Bfactors> = 0.000 +/- 0.00
Bfactors> Shiftng-fct= -0.014
Bfactors> Scaling-fct= 0.000
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240227210820858749 7 -150 150 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-150
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=-130
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=-110
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=-90
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=-70
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=-50
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=-30
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=-10
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=10
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=30
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=50
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=70
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=90
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=110
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=130
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=150
240227210820858749.eigenfacs
240227210820858749.atom
making animated gifs
16 models are in 240227210820858749.7.pdb, 2 models will be skipped
MODEL 1 will be plotted
MODEL 4 will be plotted
MODEL 7 will be plotted
MODEL 10 will be plotted
MODEL 13 will be plotted
MODEL 16 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
16 models are in 240227210820858749.7.pdb, 2 models will be skipped
MODEL 1 will be plotted
MODEL 4 will be plotted
MODEL 7 will be plotted
MODEL 10 will be plotted
MODEL 13 will be plotted
MODEL 16 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
16 models are in 240227210820858749.7.pdb, 2 models will be skipped
MODEL 1 will be plotted
MODEL 4 will be plotted
MODEL 7 will be plotted
MODEL 10 will be plotted
MODEL 13 will be plotted
MODEL 16 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 8
running: ../../bin/get_modes.sh 240227210820858749 8 -150 150 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-150
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=-130
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=-110
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=-90
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=-70
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=-50
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=-30
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=-10
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=10
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=30
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=50
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=70
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=90
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=110
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=130
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=150
240227210820858749.eigenfacs
240227210820858749.atom
making animated gifs
16 models are in 240227210820858749.8.pdb, 2 models will be skipped
MODEL 1 will be plotted
MODEL 4 will be plotted
MODEL 7 will be plotted
MODEL 10 will be plotted
MODEL 13 will be plotted
MODEL 16 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
16 models are in 240227210820858749.8.pdb, 2 models will be skipped
MODEL 1 will be plotted
MODEL 4 will be plotted
MODEL 7 will be plotted
MODEL 10 will be plotted
MODEL 13 will be plotted
MODEL 16 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
16 models are in 240227210820858749.8.pdb, 2 models will be skipped
MODEL 1 will be plotted
MODEL 4 will be plotted
MODEL 7 will be plotted
MODEL 10 will be plotted
MODEL 13 will be plotted
MODEL 16 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 9
running: ../../bin/get_modes.sh 240227210820858749 9 -150 150 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-150
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=-130
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=-110
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=-90
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=-70
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=-50
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=-30
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=-10
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=10
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=30
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=50
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=70
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=90
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=110
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=130
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=150
240227210820858749.eigenfacs
240227210820858749.atom
making animated gifs
16 models are in 240227210820858749.9.pdb, 2 models will be skipped
MODEL 1 will be plotted
MODEL 4 will be plotted
MODEL 7 will be plotted
MODEL 10 will be plotted
MODEL 13 will be plotted
MODEL 16 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
16 models are in 240227210820858749.9.pdb, 2 models will be skipped
MODEL 1 will be plotted
MODEL 4 will be plotted
MODEL 7 will be plotted
MODEL 10 will be plotted
MODEL 13 will be plotted
MODEL 16 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
16 models are in 240227210820858749.9.pdb, 2 models will be skipped
MODEL 1 will be plotted
MODEL 4 will be plotted
MODEL 7 will be plotted
MODEL 10 will be plotted
MODEL 13 will be plotted
MODEL 16 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 10
running: ../../bin/get_modes.sh 240227210820858749 10 -150 150 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-150
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=-130
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=-110
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=-90
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=-70
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=-50
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=-30
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=-10
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=10
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=30
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=50
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=70
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=90
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=110
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=130
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=150
240227210820858749.eigenfacs
240227210820858749.atom
making animated gifs
16 models are in 240227210820858749.10.pdb, 2 models will be skipped
MODEL 1 will be plotted
MODEL 4 will be plotted
MODEL 7 will be plotted
MODEL 10 will be plotted
MODEL 13 will be plotted
MODEL 16 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
16 models are in 240227210820858749.10.pdb, 2 models will be skipped
MODEL 1 will be plotted
MODEL 4 will be plotted
MODEL 7 will be plotted
MODEL 10 will be plotted
MODEL 13 will be plotted
MODEL 16 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
16 models are in 240227210820858749.10.pdb, 2 models will be skipped
MODEL 1 will be plotted
MODEL 4 will be plotted
MODEL 7 will be plotted
MODEL 10 will be plotted
MODEL 13 will be plotted
MODEL 16 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 11
running: ../../bin/get_modes.sh 240227210820858749 11 -150 150 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-150
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=-130
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=-110
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=-90
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=-70
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=-50
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=-30
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=-10
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=10
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=30
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=50
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=70
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=90
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=110
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=130
240227210820858749.eigenfacs
240227210820858749.atom
calculating perturbed structure for DQ=150
240227210820858749.eigenfacs
240227210820858749.atom
making animated gifs
16 models are in 240227210820858749.11.pdb, 2 models will be skipped
MODEL 1 will be plotted
MODEL 4 will be plotted
MODEL 7 will be plotted
MODEL 10 will be plotted
MODEL 13 will be plotted
MODEL 16 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
16 models are in 240227210820858749.11.pdb, 2 models will be skipped
MODEL 1 will be plotted
MODEL 4 will be plotted
MODEL 7 will be plotted
MODEL 10 will be plotted
MODEL 13 will be plotted
MODEL 16 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
16 models are in 240227210820858749.11.pdb, 2 models will be skipped
MODEL 1 will be plotted
MODEL 4 will be plotted
MODEL 7 will be plotted
MODEL 10 will be plotted
MODEL 13 will be plotted
MODEL 16 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
240227210820858749.10.pdb
240227210820858749.11.pdb
240227210820858749.7.pdb
240227210820858749.8.pdb
240227210820858749.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m6.404s
user 0m6.364s
sys 0m0.040s
../../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: 240227210820858749.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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