CNRS Nantes University US2B US2B
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***  MEMBRANE PROTEIN/METAL TRANSPORT 23-DEC-11 3V8X  ***

LOGs for ID: 2401051809213978599

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 = 2401051809213978599.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 2401051809213978599.atom to be opened. Openam> File opened: 2401051809213978599.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 = 1529 First residue number = 54 Last residue number = 679 Number of atoms found = 11736 Mean number per residue = 7.7 Pdbmat> Coordinate statistics: = 4.997710 +/- 21.961421 From: -38.745000 To: 63.244000 = 0.185286 +/- 12.788879 From: -29.482000 To: 36.167000 = 44.576050 +/- 32.361663 From: -21.863000 To: 110.513000 Pdbmat> Masses are all set to one. Openam> File opened: pdbmat.xyzm Pdbmat> Coordinates and masses considered are saved. Openam> File opened: pdbmat.sdijb Pdbmat> Matrix statistics: Pdbmat> The matrix is 0.7256 % Filled. Pdbmat> 4497677 non-zero elements. Pdbmat> 491999 atom-atom interactions. Pdbmat> Number per atom= 83.84 +/- 21.15 Maximum number = 137 Minimum number = 13 Pdbmat> Matrix trace = 9.839980E+06 Pdbmat> Larger element = 496.407 Pdbmat> 0 elements larger than +/- 1.0E+10 Pdbmat> Normal end. automatic determination of NRBL (NRBL = nresidues/200 + 1) 1529 non-zero elements, NRBL set to 8 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 = 2401051809213978599.atom Eigenvector OUTPut file = matrix.eigenrtb Nb of VECTors required = 106 EigeNVALues chosen = LOWE Type of SUBStructuring = NONE Nb of residues per BLOck = 8 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 2401051809213978599.atom to be opened. Openam> file on opening on unit 11: 2401051809213978599.atom Blocpdb> Coordinate file in PDB format. Blocpdb> 11736 atoms picked in pdb file. Blocpdb> All masses set to unity. Blocpdb> Coordinate file is rewritten. Blocpdb> Substructuring: Blocpdb> 8 residue(s) per block. Blocpdb> 1529 residues. Blocpdb> 56 atoms in block 1 Block first atom: 1 Blocpdb> 57 atoms in block 2 Block first atom: 57 Blocpdb> 69 atoms in block 3 Block first atom: 114 Blocpdb> 65 atoms in block 4 Block first atom: 183 Blocpdb> 60 atoms in block 5 Block first atom: 248 Blocpdb> 51 atoms in block 6 Block first atom: 308 Blocpdb> 66 atoms in block 7 Block first atom: 359 Blocpdb> 53 atoms in block 8 Block first atom: 425 Blocpdb> 65 atoms in block 9 Block first atom: 478 Blocpdb> 51 atoms in block 10 Block first atom: 543 Blocpdb> 46 atoms in block 11 Block first atom: 594 Blocpdb> 71 atoms in block 12 Block first atom: 640 Blocpdb> 54 atoms in block 13 Block first atom: 711 Blocpdb> 53 atoms in block 14 Block first atom: 765 Blocpdb> 51 atoms in block 15 Block first atom: 818 Blocpdb> 60 atoms in block 16 Block first atom: 869 Blocpdb> 59 atoms in block 17 Block first atom: 929 Blocpdb> 62 atoms in block 18 Block first atom: 988 Blocpdb> 60 atoms in block 19 Block first atom: 1050 Blocpdb> 55 atoms in block 20 Block first atom: 1110 Blocpdb> 51 atoms in block 21 Block first atom: 1165 Blocpdb> 61 atoms in block 22 Block first atom: 1216 Blocpdb> 60 atoms in block 23 Block first atom: 1277 Blocpdb> 61 atoms in block 24 Block first atom: 1337 Blocpdb> 58 atoms in block 25 Block first atom: 1398 Blocpdb> 72 atoms in block 26 Block first atom: 1456 Blocpdb> 63 atoms in block 27 Block first atom: 1528 Blocpdb> 60 atoms in block 28 Block first atom: 1591 Blocpdb> 61 atoms in block 29 Block first atom: 1651 Blocpdb> 60 atoms in block 30 Block first atom: 1712 Blocpdb> 68 atoms in block 31 Block first atom: 1772 Blocpdb> 61 atoms in block 32 Block first atom: 1840 Blocpdb> 72 atoms in block 33 Block first atom: 1901 Blocpdb> 73 atoms in block 34 Block first atom: 1973 Blocpdb> 63 atoms in block 35 Block first atom: 2046 Blocpdb> 69 atoms in block 36 Block first atom: 2109 Blocpdb> 61 atoms in block 37 Block first atom: 2178 Blocpdb> 60 atoms in block 38 Block first atom: 2239 Blocpdb> 57 atoms in block 39 Block first atom: 2299 Blocpdb> 54 atoms in block 40 Block first atom: 2356 Blocpdb> 65 atoms in block 41 Block first atom: 2410 Blocpdb> 53 atoms in block 42 Block first atom: 2475 Blocpdb> 52 atoms in block 43 Block first atom: 2528 Blocpdb> 73 atoms in block 44 Block first atom: 2580 Blocpdb> 69 atoms in block 45 Block first atom: 2653 Blocpdb> 64 atoms in block 46 Block first atom: 2722 Blocpdb> 69 atoms in block 47 Block first atom: 2786 Blocpdb> 63 atoms in block 48 Block first atom: 2855 Blocpdb> 72 atoms in block 49 Block first atom: 2918 Blocpdb> 52 atoms in block 50 Block first atom: 2990 Blocpdb> 64 atoms in block 51 Block first atom: 3042 Blocpdb> 71 atoms in block 52 Block first atom: 3106 Blocpdb> 67 atoms in block 53 Block first atom: 3177 Blocpdb> 66 atoms in block 54 Block first atom: 3244 Blocpdb> 34 atoms in block 55 Block first atom: 3310 Blocpdb> 54 atoms in block 56 Block first atom: 3344 Blocpdb> 65 atoms in block 57 Block first atom: 3398 Blocpdb> 72 atoms in block 58 Block first atom: 3463 Blocpdb> 72 atoms in block 59 Block first atom: 3535 Blocpdb> 62 atoms in block 60 Block first atom: 3607 Blocpdb> 59 atoms in block 61 Block first atom: 3669 Blocpdb> 59 atoms in block 62 Block first atom: 3728 Blocpdb> 63 atoms in block 63 Block first atom: 3787 Blocpdb> 59 atoms in block 64 Block first atom: 3850 Blocpdb> 62 atoms in block 65 Block first atom: 3909 Blocpdb> 57 atoms in block 66 Block first atom: 3971 Blocpdb> 67 atoms in block 67 Block first atom: 4028 Blocpdb> 71 atoms in block 68 Block first atom: 4095 Blocpdb> 52 atoms in block 69 Block first atom: 4166 Blocpdb> 83 atoms in block 70 Block first atom: 4218 Blocpdb> 50 atoms in block 71 Block first atom: 4301 Blocpdb> 71 atoms in block 72 Block first atom: 4351 Blocpdb> 55 atoms in block 73 Block first atom: 4422 Blocpdb> 76 atoms in block 74 Block first atom: 4477 Blocpdb> 61 atoms in block 75 Block first atom: 4553 Blocpdb> 69 atoms in block 76 Block first atom: 4614 Blocpdb> 56 atoms in block 77 Block first atom: 4683 Blocpdb> 63 atoms in block 78 Block first atom: 4739 Blocpdb> 61 atoms in block 79 Block first atom: 4802 Blocpdb> 63 atoms in block 80 Block first atom: 4863 Blocpdb> 66 atoms in block 81 Block first atom: 4926 Blocpdb> 69 atoms in block 82 Block first atom: 4992 Blocpdb> 61 atoms in block 83 Block first atom: 5061 Blocpdb> 56 atoms in block 84 Block first atom: 5122 Blocpdb> 58 atoms in block 85 Block first atom: 5178 Blocpdb> 62 atoms in block 86 Block first atom: 5236 Blocpdb> 59 atoms in block 87 Block first atom: 5298 Blocpdb> 75 atoms in block 88 Block first atom: 5357 Blocpdb> 72 atoms in block 89 Block first atom: 5432 Blocpdb> 67 atoms in block 90 Block first atom: 5504 Blocpdb> 65 atoms in block 91 Block first atom: 5571 Blocpdb> 63 atoms in block 92 Block first atom: 5636 Blocpdb> 61 atoms in block 93 Block first atom: 5699 Blocpdb> 58 atoms in block 94 Block first atom: 5760 Blocpdb> 65 atoms in block 95 Block first atom: 5818 Blocpdb> 69 atoms in block 96 Block first atom: 5883 Blocpdb> 61 atoms in block 97 Block first atom: 5952 Blocpdb> 62 atoms in block 98 Block first atom: 6013 Blocpdb> 74 atoms in block 99 Block first atom: 6075 Blocpdb> 62 atoms in block 100 Block first atom: 6149 Blocpdb> 63 atoms in block 101 Block first atom: 6211 Blocpdb> 79 atoms in block 102 Block first atom: 6274 Blocpdb> 72 atoms in block 103 Block first atom: 6353 Blocpdb> 49 atoms in block 104 Block first atom: 6425 Blocpdb> 65 atoms in block 105 Block first atom: 6474 Blocpdb> 63 atoms in block 106 Block first atom: 6539 Blocpdb> 74 atoms in block 107 Block first atom: 6602 Blocpdb> 11 atoms in block 108 Block first atom: 6676 Blocpdb> 56 atoms in block 109 Block first atom: 6687 Blocpdb> 51 atoms in block 110 Block first atom: 6743 Blocpdb> 40 atoms in block 111 Block first atom: 6794 Blocpdb> 49 atoms in block 112 Block first atom: 6834 Blocpdb> 50 atoms in block 113 Block first atom: 6883 Blocpdb> 64 atoms in block 114 Block first atom: 6933 Blocpdb> 53 atoms in block 115 Block first atom: 6997 Blocpdb> 54 atoms in block 116 Block first atom: 7050 Blocpdb> 65 atoms in block 117 Block first atom: 7104 Blocpdb> 56 atoms in block 118 Block first atom: 7169 Blocpdb> 58 atoms in block 119 Block first atom: 7225 Blocpdb> 68 atoms in block 120 Block first atom: 7283 Blocpdb> 61 atoms in block 121 Block first atom: 7351 Blocpdb> 66 atoms in block 122 Block first atom: 7412 Blocpdb> 54 atoms in block 123 Block first atom: 7478 Blocpdb> 63 atoms in block 124 Block first atom: 7532 Blocpdb> 62 atoms in block 125 Block first atom: 7595 Blocpdb> 63 atoms in block 126 Block first atom: 7657 Blocpdb> 58 atoms in block 127 Block first atom: 7720 Blocpdb> 47 atoms in block 128 Block first atom: 7778 Blocpdb> 60 atoms in block 129 Block first atom: 7825 Blocpdb> 50 atoms in block 130 Block first atom: 7885 Blocpdb> 62 atoms in block 131 Block first atom: 7935 Blocpdb> 57 atoms in block 132 Block first atom: 7997 Blocpdb> 50 atoms in block 133 Block first atom: 8054 Blocpdb> 69 atoms in block 134 Block first atom: 8104 Blocpdb> 60 atoms in block 135 Block first atom: 8173 Blocpdb> 71 atoms in block 136 Block first atom: 8233 Blocpdb> 65 atoms in block 137 Block first atom: 8304 Blocpdb> 70 atoms in block 138 Block first atom: 8369 Blocpdb> 58 atoms in block 139 Block first atom: 8439 Blocpdb> 41 atoms in block 140 Block first atom: 8497 Blocpdb> 68 atoms in block 141 Block first atom: 8538 Blocpdb> 61 atoms in block 142 Block first atom: 8606 Blocpdb> 45 atoms in block 143 Block first atom: 8667 Blocpdb> 54 atoms in block 144 Block first atom: 8712 Blocpdb> 56 atoms in block 145 Block first atom: 8766 Blocpdb> 59 atoms in block 146 Block first atom: 8822 Blocpdb> 69 atoms in block 147 Block first atom: 8881 Blocpdb> 64 atoms in block 148 Block first atom: 8950 Blocpdb> 64 atoms in block 149 Block first atom: 9014 Blocpdb> 58 atoms in block 150 Block first atom: 9078 Blocpdb> 65 atoms in block 151 Block first atom: 9136 Blocpdb> 69 atoms in block 152 Block first atom: 9201 Blocpdb> 65 atoms in block 153 Block first atom: 9270 Blocpdb> 54 atoms in block 154 Block first atom: 9335 Blocpdb> 59 atoms in block 155 Block first atom: 9389 Blocpdb> 59 atoms in block 156 Block first atom: 9448 Blocpdb> 54 atoms in block 157 Block first atom: 9507 Blocpdb> 55 atoms in block 158 Block first atom: 9561 Blocpdb> 59 atoms in block 159 Block first atom: 9616 Blocpdb> 66 atoms in block 160 Block first atom: 9675 Blocpdb> 63 atoms in block 161 Block first atom: 9741 Blocpdb> 55 atoms in block 162 Block first atom: 9804 Blocpdb> 64 atoms in block 163 Block first atom: 9859 Blocpdb> 57 atoms in block 164 Block first atom: 9923 Blocpdb> 50 atoms in block 165 Block first atom: 9980 Blocpdb> 65 atoms in block 166 Block first atom: 10030 Blocpdb> 66 atoms in block 167 Block first atom: 10095 Blocpdb> 69 atoms in block 168 Block first atom: 10161 Blocpdb> 50 atoms in block 169 Block first atom: 10230 Blocpdb> 53 atoms in block 170 Block first atom: 10280 Blocpdb> 50 atoms in block 171 Block first atom: 10333 Blocpdb> 65 atoms in block 172 Block first atom: 10383 Blocpdb> 60 atoms in block 173 Block first atom: 10448 Blocpdb> 57 atoms in block 174 Block first atom: 10508 Blocpdb> 67 atoms in block 175 Block first atom: 10565 Blocpdb> 56 atoms in block 176 Block first atom: 10632 Blocpdb> 63 atoms in block 177 Block first atom: 10688 Blocpdb> 69 atoms in block 178 Block first atom: 10751 Blocpdb> 61 atoms in block 179 Block first atom: 10820 Blocpdb> 67 atoms in block 180 Block first atom: 10881 Blocpdb> 58 atoms in block 181 Block first atom: 10948 Blocpdb> 65 atoms in block 182 Block first atom: 11006 Blocpdb> 68 atoms in block 183 Block first atom: 11071 Blocpdb> 65 atoms in block 184 Block first atom: 11139 Blocpdb> 57 atoms in block 185 Block first atom: 11204 Blocpdb> 67 atoms in block 186 Block first atom: 11261 Blocpdb> 69 atoms in block 187 Block first atom: 11328 Blocpdb> 61 atoms in block 188 Block first atom: 11397 Blocpdb> 76 atoms in block 189 Block first atom: 11458 Blocpdb> 62 atoms in block 190 Block first atom: 11534 Blocpdb> 46 atoms in block 191 Block first atom: 11596 Blocpdb> 55 atoms in block 192 Block first atom: 11642 Blocpdb> 40 atoms in block 193 Block first atom: 11696 Blocpdb> 193 blocks. Blocpdb> At most, 83 atoms in each of them. Blocpdb> At least, 11 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> 4497870 matrix lines read. Prepmat> Matrix order = 35208 Prepmat> Matrix trace = 9839980.0000 Prepmat> Last element read: 35208 35208 124.5990 Prepmat> 18722 lines saved. Prepmat> 17047 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: 11736 RTB> Total mass = 11736.0000 RTB> Number of atoms found in matrix: 11736 RTB> Number of blocks = 193 RTB> Projection begins. RTB> Projected matrix is being saved. RTB> Projected matrix trace = 212321.8940 RTB> 57369 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 = 1158 Diagstd> Nb of non-zero elements: 57369 Diagstd> Projected matrix trace = 212321.8940 Openam> file on opening on unit 11: diagrtb_work.eigenfacs Diagstd> Diagonalization. Diagstd> 1158 eigenvectors are computed. Diagstd> 106 of them to be saved. Diagstd> Sum of eigenvalues = 212321.8940 Diagstd> Best zero-eigenvalue found : 0.000000 Diagstd> 6 zero-eigenvalues, that is, below or equal to: 0.0000000 Diagstd> Selected eigenvalues: 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.1623373 0.2556387 0.3752603 0.7989848 0.9832772 1.1110138 1.6659195 1.9200237 2.1596416 2.3220822 2.6981651 2.8095739 3.4840374 3.7337098 3.7693353 4.6388498 5.0880882 5.8993605 6.2758736 6.8913775 7.0211590 7.2104915 7.6362763 7.9826990 8.9543102 9.4897578 9.5576331 9.9099994 10.2694762 10.9040244 11.0265662 11.6528605 12.1189944 12.3117152 12.9945897 13.1194948 13.6969087 14.0805072 14.2536743 14.7674934 15.5531256 15.5879838 16.1653480 16.3694925 16.8958019 17.6739811 17.7472389 18.0363275 18.3719949 18.8728460 19.4221576 19.5716999 19.6847652 20.1040592 20.6989705 21.2494155 21.5428421 21.8995697 22.0901072 22.3678731 22.7344265 22.8766022 23.8531232 24.0502845 24.7337933 25.4590660 25.5258495 25.8316228 26.1196014 26.3619314 26.7851365 26.8873971 27.4631290 27.7377512 28.2457029 28.6542985 28.9279174 29.1931601 29.5458726 30.1046642 30.3680995 30.9625151 31.0468888 31.2760014 31.8218357 32.0345639 32.5788084 32.9132024 33.2473780 33.5524219 34.3044177 34.4298295 35.1171036 35.2424357 35.7500917 35.9763359 36.6429998 36.6895941 37.2184921 37.6809133 Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units): 0.0034314 0.0034330 0.0034331 0.0034339 0.0034347 0.0034356 43.7526520 54.9045792 66.5214339 97.0654198 107.6795582 114.4603345 140.1594196 150.4695318 159.5828160 165.4756407 178.3731725 182.0184920 202.6920356 209.8290231 210.8276972 233.8839596 244.9472651 263.7532073 272.0397546 285.0678886 287.7396329 291.5934173 300.0793412 306.8104568 324.9461133 334.5205832 335.7147776 341.8472525 347.9921333 358.5821666 360.5914507 370.6905834 378.0320083 381.0259551 391.4502414 393.3270693 401.8894081 407.4782472 409.9762468 417.3002768 428.2566546 428.7362972 436.6040992 439.3522839 446.3593997 456.5228015 457.4679547 461.1788014 465.4504321 471.7522479 478.5683988 480.4072518 481.7929050 486.8970656 494.0485770 500.5745607 504.0188507 508.1747371 510.3806399 513.5794358 517.7704753 519.3869589 530.3565128 532.5438694 540.0582984 547.9191933 548.6373654 551.9136380 554.9815590 557.5500932 562.0076306 563.0794283 569.0760247 571.9142325 577.1271073 581.2864110 584.0551594 586.7266763 590.2604580 595.8160173 598.4172271 604.2454596 605.0681928 607.2966591 612.5730618 614.6171701 619.8161357 622.9889595 626.1436506 629.0095182 636.0193173 637.1808518 643.5089990 644.6563108 649.2827435 651.3339938 657.3411049 657.7589010 662.4828919 666.5856966 Diagstd> Normal end. Rtb_to_modes> Entering in. Rtb_to_modes> Number of atoms in temporary block-file = 11736 Rtb_to_modes> Number of blocs = 193 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: 9.9849E-10 Rdmodfacs> Eigenvector number: 2 Rdmodfacs> Corresponding eigenvalue: 9.9947E-10 Rdmodfacs> Eigenvector number: 3 Rdmodfacs> Corresponding eigenvalue: 9.9947E-10 Rdmodfacs> Eigenvector number: 4 Rdmodfacs> Corresponding eigenvalue: 9.9995E-10 Rdmodfacs> Eigenvector number: 5 Rdmodfacs> Corresponding eigenvalue: 1.0004E-09 Rdmodfacs> Eigenvector number: 6 Rdmodfacs> Corresponding eigenvalue: 1.0009E-09 Rdmodfacs> Eigenvector number: 7 Rdmodfacs> Corresponding eigenvalue: 0.1623 Rdmodfacs> Eigenvector number: 8 Rdmodfacs> Corresponding eigenvalue: 0.2556 Rdmodfacs> Eigenvector number: 9 Rdmodfacs> Corresponding eigenvalue: 0.3753 Rdmodfacs> Eigenvector number: 10 Rdmodfacs> Corresponding eigenvalue: 0.7990 Rdmodfacs> Eigenvector number: 11 Rdmodfacs> Corresponding eigenvalue: 0.9833 Rdmodfacs> Eigenvector number: 12 Rdmodfacs> Corresponding eigenvalue: 1.111 Rdmodfacs> Eigenvector number: 13 Rdmodfacs> Corresponding eigenvalue: 1.666 Rdmodfacs> Eigenvector number: 14 Rdmodfacs> Corresponding eigenvalue: 1.920 Rdmodfacs> Eigenvector number: 15 Rdmodfacs> Corresponding eigenvalue: 2.160 Rdmodfacs> Eigenvector number: 16 Rdmodfacs> Corresponding eigenvalue: 2.322 Rdmodfacs> Eigenvector number: 17 Rdmodfacs> Corresponding eigenvalue: 2.698 Rdmodfacs> Eigenvector number: 18 Rdmodfacs> Corresponding eigenvalue: 2.810 Rdmodfacs> Eigenvector number: 19 Rdmodfacs> Corresponding eigenvalue: 3.484 Rdmodfacs> Eigenvector number: 20 Rdmodfacs> Corresponding eigenvalue: 3.734 Rdmodfacs> Eigenvector number: 21 Rdmodfacs> Corresponding eigenvalue: 3.769 Rdmodfacs> Eigenvector number: 22 Rdmodfacs> Corresponding eigenvalue: 4.639 Rdmodfacs> Eigenvector number: 23 Rdmodfacs> Corresponding eigenvalue: 5.088 Rdmodfacs> Eigenvector number: 24 Rdmodfacs> Corresponding eigenvalue: 5.899 Rdmodfacs> Eigenvector number: 25 Rdmodfacs> Corresponding eigenvalue: 6.276 Rdmodfacs> Eigenvector number: 26 Rdmodfacs> Corresponding eigenvalue: 6.891 Rdmodfacs> Eigenvector number: 27 Rdmodfacs> Corresponding eigenvalue: 7.021 Rdmodfacs> Eigenvector number: 28 Rdmodfacs> Corresponding eigenvalue: 7.210 Rdmodfacs> Eigenvector number: 29 Rdmodfacs> Corresponding eigenvalue: 7.636 Rdmodfacs> Eigenvector number: 30 Rdmodfacs> Corresponding eigenvalue: 7.983 Rdmodfacs> Eigenvector number: 31 Rdmodfacs> Corresponding eigenvalue: 8.954 Rdmodfacs> Eigenvector number: 32 Rdmodfacs> Corresponding eigenvalue: 9.490 Rdmodfacs> Eigenvector number: 33 Rdmodfacs> Corresponding eigenvalue: 9.558 Rdmodfacs> Eigenvector number: 34 Rdmodfacs> Corresponding eigenvalue: 9.910 Rdmodfacs> Eigenvector number: 35 Rdmodfacs> Corresponding eigenvalue: 10.27 Rdmodfacs> Eigenvector number: 36 Rdmodfacs> Corresponding eigenvalue: 10.90 Rdmodfacs> Eigenvector number: 37 Rdmodfacs> Corresponding eigenvalue: 11.03 Rdmodfacs> Eigenvector number: 38 Rdmodfacs> Corresponding eigenvalue: 11.65 Rdmodfacs> Eigenvector number: 39 Rdmodfacs> Corresponding eigenvalue: 12.12 Rdmodfacs> Eigenvector number: 40 Rdmodfacs> Corresponding eigenvalue: 12.31 Rdmodfacs> Eigenvector number: 41 Rdmodfacs> Corresponding eigenvalue: 12.99 Rdmodfacs> Eigenvector number: 42 Rdmodfacs> Corresponding eigenvalue: 13.12 Rdmodfacs> Eigenvector number: 43 Rdmodfacs> Corresponding eigenvalue: 13.70 Rdmodfacs> Eigenvector number: 44 Rdmodfacs> Corresponding eigenvalue: 14.08 Rdmodfacs> Eigenvector number: 45 Rdmodfacs> Corresponding eigenvalue: 14.25 Rdmodfacs> Eigenvector number: 46 Rdmodfacs> Corresponding eigenvalue: 14.77 Rdmodfacs> Eigenvector number: 47 Rdmodfacs> Corresponding eigenvalue: 15.55 Rdmodfacs> Eigenvector number: 48 Rdmodfacs> Corresponding eigenvalue: 15.59 Rdmodfacs> Eigenvector number: 49 Rdmodfacs> Corresponding eigenvalue: 16.17 Rdmodfacs> Eigenvector number: 50 Rdmodfacs> Corresponding eigenvalue: 16.37 Rdmodfacs> Eigenvector number: 51 Rdmodfacs> Corresponding eigenvalue: 16.90 Rdmodfacs> Eigenvector number: 52 Rdmodfacs> Corresponding eigenvalue: 17.67 Rdmodfacs> Eigenvector number: 53 Rdmodfacs> Corresponding eigenvalue: 17.75 Rdmodfacs> Eigenvector number: 54 Rdmodfacs> Corresponding eigenvalue: 18.04 Rdmodfacs> Eigenvector number: 55 Rdmodfacs> Corresponding eigenvalue: 18.37 Rdmodfacs> Eigenvector number: 56 Rdmodfacs> Corresponding eigenvalue: 18.87 Rdmodfacs> Eigenvector number: 57 Rdmodfacs> Corresponding eigenvalue: 19.42 Rdmodfacs> Eigenvector number: 58 Rdmodfacs> Corresponding eigenvalue: 19.57 Rdmodfacs> Eigenvector number: 59 Rdmodfacs> Corresponding eigenvalue: 19.68 Rdmodfacs> Eigenvector number: 60 Rdmodfacs> Corresponding eigenvalue: 20.10 Rdmodfacs> Eigenvector number: 61 Rdmodfacs> Corresponding eigenvalue: 20.70 Rdmodfacs> Eigenvector number: 62 Rdmodfacs> Corresponding eigenvalue: 21.25 Rdmodfacs> Eigenvector number: 63 Rdmodfacs> Corresponding eigenvalue: 21.54 Rdmodfacs> Eigenvector number: 64 Rdmodfacs> Corresponding eigenvalue: 21.90 Rdmodfacs> Eigenvector number: 65 Rdmodfacs> Corresponding eigenvalue: 22.09 Rdmodfacs> Eigenvector number: 66 Rdmodfacs> Corresponding eigenvalue: 22.37 Rdmodfacs> Eigenvector number: 67 Rdmodfacs> Corresponding eigenvalue: 22.73 Rdmodfacs> Eigenvector number: 68 Rdmodfacs> Corresponding eigenvalue: 22.88 Rdmodfacs> Eigenvector number: 69 Rdmodfacs> Corresponding eigenvalue: 23.85 Rdmodfacs> Eigenvector number: 70 Rdmodfacs> Corresponding eigenvalue: 24.05 Rdmodfacs> Eigenvector number: 71 Rdmodfacs> Corresponding eigenvalue: 24.73 Rdmodfacs> Eigenvector number: 72 Rdmodfacs> Corresponding eigenvalue: 25.46 Rdmodfacs> Eigenvector number: 73 Rdmodfacs> Corresponding eigenvalue: 25.53 Rdmodfacs> Eigenvector number: 74 Rdmodfacs> Corresponding eigenvalue: 25.83 Rdmodfacs> Eigenvector number: 75 Rdmodfacs> Corresponding eigenvalue: 26.12 Rdmodfacs> Eigenvector number: 76 Rdmodfacs> Corresponding eigenvalue: 26.36 Rdmodfacs> Eigenvector number: 77 Rdmodfacs> Corresponding eigenvalue: 26.79 Rdmodfacs> Eigenvector number: 78 Rdmodfacs> Corresponding eigenvalue: 26.89 Rdmodfacs> Eigenvector number: 79 Rdmodfacs> Corresponding eigenvalue: 27.46 Rdmodfacs> Eigenvector number: 80 Rdmodfacs> Corresponding eigenvalue: 27.74 Rdmodfacs> Eigenvector number: 81 Rdmodfacs> Corresponding eigenvalue: 28.25 Rdmodfacs> Eigenvector number: 82 Rdmodfacs> Corresponding eigenvalue: 28.65 Rdmodfacs> Eigenvector number: 83 Rdmodfacs> Corresponding eigenvalue: 28.93 Rdmodfacs> Eigenvector number: 84 Rdmodfacs> Corresponding eigenvalue: 29.19 Rdmodfacs> Eigenvector number: 85 Rdmodfacs> Corresponding eigenvalue: 29.55 Rdmodfacs> Eigenvector number: 86 Rdmodfacs> Corresponding eigenvalue: 30.10 Rdmodfacs> Eigenvector number: 87 Rdmodfacs> Corresponding eigenvalue: 30.37 Rdmodfacs> Eigenvector number: 88 Rdmodfacs> Corresponding eigenvalue: 30.96 Rdmodfacs> Eigenvector number: 89 Rdmodfacs> Corresponding eigenvalue: 31.05 Rdmodfacs> Eigenvector number: 90 Rdmodfacs> Corresponding eigenvalue: 31.28 Rdmodfacs> Eigenvector number: 91 Rdmodfacs> Corresponding eigenvalue: 31.82 Rdmodfacs> Eigenvector number: 92 Rdmodfacs> Corresponding eigenvalue: 32.03 Rdmodfacs> Eigenvector number: 93 Rdmodfacs> Corresponding eigenvalue: 32.58 Rdmodfacs> Eigenvector number: 94 Rdmodfacs> Corresponding eigenvalue: 32.91 Rdmodfacs> Eigenvector number: 95 Rdmodfacs> Corresponding eigenvalue: 33.25 Rdmodfacs> Eigenvector number: 96 Rdmodfacs> Corresponding eigenvalue: 33.55 Rdmodfacs> Eigenvector number: 97 Rdmodfacs> Corresponding eigenvalue: 34.30 Rdmodfacs> Eigenvector number: 98 Rdmodfacs> Corresponding eigenvalue: 34.43 Rdmodfacs> Eigenvector number: 99 Rdmodfacs> Corresponding eigenvalue: 35.12 Rdmodfacs> Eigenvector number: 100 Rdmodfacs> Corresponding eigenvalue: 35.24 Rdmodfacs> Eigenvector number: 101 Rdmodfacs> Corresponding eigenvalue: 35.75 Rdmodfacs> Eigenvector number: 102 Rdmodfacs> Corresponding eigenvalue: 35.98 Rdmodfacs> Eigenvector number: 103 Rdmodfacs> Corresponding eigenvalue: 36.64 Rdmodfacs> Eigenvector number: 104 Rdmodfacs> Corresponding eigenvalue: 36.69 Rdmodfacs> Eigenvector number: 105 Rdmodfacs> Corresponding eigenvalue: 37.22 Rdmodfacs> Eigenvector number: 106 Rdmodfacs> Corresponding eigenvalue: 37.68 Rtb_to_modes> 106 vectors, with 1158 coordinates in vector file. Norm of eigenvectors in projected coordinates (one expected): 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00001 0.99999 0.99998 1.00002 1.00001 0.99997 0.99999 1.00003 0.99998 0.99997 1.00000 1.00002 1.00001 0.99998 1.00003 1.00000 0.99998 1.00000 1.00001 0.99999 1.00001 0.99999 0.99997 1.00000 1.00001 1.00002 0.99999 1.00000 0.99999 1.00002 1.00000 1.00000 0.99999 0.99999 0.99999 1.00001 0.99999 1.00001 0.99998 0.99999 1.00003 0.99999 1.00001 0.99999 1.00001 1.00002 0.99998 1.00002 1.00000 0.99998 1.00000 1.00002 1.00001 1.00000 0.99999 1.00000 0.99999 1.00001 0.99998 1.00001 1.00003 1.00001 0.99999 1.00001 0.99999 1.00000 0.99999 1.00001 0.99998 1.00002 0.99998 1.00001 0.99999 0.99999 1.00001 0.99999 0.99999 0.99999 1.00000 1.00001 1.00000 1.00000 0.99999 0.99999 1.00001 0.99997 1.00000 1.00001 0.99997 1.00000 1.00001 0.99999 1.00001 1.00000 1.00000 0.99998 1.00002 0.99998 0.99997 1.00001 Rtb_to_modes> RTB block-file is being read. Rtb_to_modes> 211248 lines found in RTB file. Norm of eigenvectors in cartesian coordinates (one expected): 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00001 0.99999 0.99998 1.00002 1.00001 0.99997 0.99999 1.00003 0.99998 0.99997 1.00000 1.00002 1.00001 0.99998 1.00003 1.00000 0.99998 1.00000 1.00001 0.99999 1.00001 0.99999 0.99997 1.00000 1.00001 1.00002 0.99999 1.00000 0.99999 1.00002 1.00000 1.00000 0.99999 0.99999 0.99999 1.00001 0.99999 1.00001 0.99998 0.99999 1.00003 0.99999 1.00001 0.99999 1.00001 1.00002 0.99998 1.00002 1.00000 0.99998 1.00000 1.00002 1.00001 1.00000 0.99999 1.00000 0.99999 1.00001 0.99998 1.00001 1.00003 1.00001 0.99999 1.00001 0.99999 1.00000 0.99999 1.00001 0.99998 1.00002 0.99998 1.00001 0.99999 0.99999 1.00001 0.99999 0.99999 0.99999 1.00000 1.00001 1.00000 1.00000 0.99999 0.99999 1.00001 0.99997 1.00000 1.00001 0.99997 1.00000 1.00001 0.99999 1.00001 1.00000 1.00000 0.99998 1.00002 0.99998 0.99997 1.00001 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> 2401051809213978599.eigenfacs Openam> file on opening on unit 10: 2401051809213978599.eigenfacs Getnam> Corresponding pdb filename ? Getnam> 2401051809213978599.atom Openam> file on opening on unit 11: 2401051809213978599.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 = 1529 First residue number = 54 Last residue number = 679 Number of atoms found = 11736 Mean number per residue = 7.7 Rdmodfacs> Old Blzpack file format detected. Rdmodfacs> Numero du vecteur CERFACS en lecture: 1 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9849E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 2 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9947E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 3 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9947E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 4 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9995E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 5 Rdmodfacs> Valeur propre du vecteur en lecture: 1.0004E-09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 6 Rdmodfacs> Valeur propre du vecteur en lecture: 1.0009E-09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 7 Rdmodfacs> Valeur propre du vecteur en lecture: 0.1623 Rdmodfacs> Numero du vecteur CERFACS en lecture: 8 Rdmodfacs> Valeur propre du vecteur en lecture: 0.2556 Rdmodfacs> Numero du vecteur CERFACS en lecture: 9 Rdmodfacs> Valeur propre du vecteur en lecture: 0.3753 Rdmodfacs> Numero du vecteur CERFACS en lecture: 10 Rdmodfacs> Valeur propre du vecteur en lecture: 0.7990 Rdmodfacs> Numero du vecteur CERFACS en lecture: 11 Rdmodfacs> Valeur propre du vecteur en lecture: 0.9833 Rdmodfacs> Numero du vecteur CERFACS en lecture: 12 Rdmodfacs> Valeur propre du vecteur en lecture: 1.111 Rdmodfacs> Numero du vecteur CERFACS en lecture: 13 Rdmodfacs> Valeur propre du vecteur en lecture: 1.666 Rdmodfacs> Numero du vecteur CERFACS en lecture: 14 Rdmodfacs> Valeur propre du vecteur en lecture: 1.920 Rdmodfacs> Numero du vecteur CERFACS en lecture: 15 Rdmodfacs> Valeur propre du vecteur en lecture: 2.160 Rdmodfacs> Numero du vecteur CERFACS en lecture: 16 Rdmodfacs> Valeur propre du vecteur en lecture: 2.322 Rdmodfacs> Numero du vecteur CERFACS en lecture: 17 Rdmodfacs> Valeur propre du vecteur en lecture: 2.698 Rdmodfacs> Numero du vecteur CERFACS en lecture: 18 Rdmodfacs> Valeur propre du vecteur en lecture: 2.810 Rdmodfacs> Numero du vecteur CERFACS en lecture: 19 Rdmodfacs> Valeur propre du vecteur en lecture: 3.484 Rdmodfacs> Numero du vecteur CERFACS en lecture: 20 Rdmodfacs> Valeur propre du vecteur en lecture: 3.734 Rdmodfacs> Numero du vecteur CERFACS en lecture: 21 Rdmodfacs> Valeur propre du vecteur en lecture: 3.769 Rdmodfacs> Numero du vecteur CERFACS en lecture: 22 Rdmodfacs> Valeur propre du vecteur en lecture: 4.639 Rdmodfacs> Numero du vecteur CERFACS en lecture: 23 Rdmodfacs> Valeur propre du vecteur en lecture: 5.088 Rdmodfacs> Numero du vecteur CERFACS en lecture: 24 Rdmodfacs> Valeur propre du vecteur en lecture: 5.899 Rdmodfacs> Numero du vecteur CERFACS en lecture: 25 Rdmodfacs> Valeur propre du vecteur en lecture: 6.276 Rdmodfacs> Numero du vecteur CERFACS en lecture: 26 Rdmodfacs> Valeur propre du vecteur en lecture: 6.891 Rdmodfacs> Numero du vecteur CERFACS en lecture: 27 Rdmodfacs> Valeur propre du vecteur en lecture: 7.021 Rdmodfacs> Numero du vecteur CERFACS en lecture: 28 Rdmodfacs> Valeur propre du vecteur en lecture: 7.210 Rdmodfacs> Numero du vecteur CERFACS en lecture: 29 Rdmodfacs> Valeur propre du vecteur en lecture: 7.636 Rdmodfacs> Numero du vecteur CERFACS en lecture: 30 Rdmodfacs> Valeur propre du vecteur en lecture: 7.983 Rdmodfacs> Numero du vecteur CERFACS en lecture: 31 Rdmodfacs> Valeur propre du vecteur en lecture: 8.954 Rdmodfacs> Numero du vecteur CERFACS en lecture: 32 Rdmodfacs> Valeur propre du vecteur en lecture: 9.490 Rdmodfacs> Numero du vecteur CERFACS en lecture: 33 Rdmodfacs> Valeur propre du vecteur en lecture: 9.558 Rdmodfacs> Numero du vecteur CERFACS en lecture: 34 Rdmodfacs> Valeur propre du vecteur en lecture: 9.910 Rdmodfacs> Numero du vecteur CERFACS en lecture: 35 Rdmodfacs> Valeur propre du vecteur en lecture: 10.27 Rdmodfacs> Numero du vecteur CERFACS en lecture: 36 Rdmodfacs> Valeur propre du vecteur en lecture: 10.90 Rdmodfacs> Numero du vecteur CERFACS en lecture: 37 Rdmodfacs> Valeur propre du vecteur en lecture: 11.03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 38 Rdmodfacs> Valeur propre du vecteur en lecture: 11.65 Rdmodfacs> Numero du vecteur CERFACS en lecture: 39 Rdmodfacs> Valeur propre du vecteur en lecture: 12.12 Rdmodfacs> Numero du vecteur CERFACS en lecture: 40 Rdmodfacs> Valeur propre du vecteur en lecture: 12.31 Rdmodfacs> Numero du vecteur CERFACS en lecture: 41 Rdmodfacs> Valeur propre du vecteur en lecture: 12.99 Rdmodfacs> Numero du vecteur CERFACS en lecture: 42 Rdmodfacs> Valeur propre du vecteur en lecture: 13.12 Rdmodfacs> Numero du vecteur CERFACS en lecture: 43 Rdmodfacs> Valeur propre du vecteur en lecture: 13.70 Rdmodfacs> Numero du vecteur CERFACS en lecture: 44 Rdmodfacs> Valeur propre du vecteur en lecture: 14.08 Rdmodfacs> Numero du vecteur CERFACS en lecture: 45 Rdmodfacs> Valeur propre du vecteur en lecture: 14.25 Rdmodfacs> Numero du vecteur CERFACS en lecture: 46 Rdmodfacs> Valeur propre du vecteur en lecture: 14.77 Rdmodfacs> Numero du vecteur CERFACS en lecture: 47 Rdmodfacs> Valeur propre du vecteur en lecture: 15.55 Rdmodfacs> Numero du vecteur CERFACS en lecture: 48 Rdmodfacs> Valeur propre du vecteur en lecture: 15.59 Rdmodfacs> Numero du vecteur CERFACS en lecture: 49 Rdmodfacs> Valeur propre du vecteur en lecture: 16.17 Rdmodfacs> Numero du vecteur CERFACS en lecture: 50 Rdmodfacs> Valeur propre du vecteur en lecture: 16.37 Rdmodfacs> Numero du vecteur CERFACS en lecture: 51 Rdmodfacs> Valeur propre du vecteur en lecture: 16.90 Rdmodfacs> Numero du vecteur CERFACS en lecture: 52 Rdmodfacs> Valeur propre du vecteur en lecture: 17.67 Rdmodfacs> Numero du vecteur CERFACS en lecture: 53 Rdmodfacs> Valeur propre du vecteur en lecture: 17.75 Rdmodfacs> Numero du vecteur CERFACS en lecture: 54 Rdmodfacs> Valeur propre du vecteur en lecture: 18.04 Rdmodfacs> Numero du vecteur CERFACS en lecture: 55 Rdmodfacs> Valeur propre du vecteur en lecture: 18.37 Rdmodfacs> Numero du vecteur CERFACS en lecture: 56 Rdmodfacs> Valeur propre du vecteur en lecture: 18.87 Rdmodfacs> Numero du vecteur CERFACS en lecture: 57 Rdmodfacs> Valeur propre du vecteur en lecture: 19.42 Rdmodfacs> Numero du vecteur CERFACS en lecture: 58 Rdmodfacs> Valeur propre du vecteur en lecture: 19.57 Rdmodfacs> Numero du vecteur CERFACS en lecture: 59 Rdmodfacs> Valeur propre du vecteur en lecture: 19.68 Rdmodfacs> Numero du vecteur CERFACS en lecture: 60 Rdmodfacs> Valeur propre du vecteur en lecture: 20.10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 61 Rdmodfacs> Valeur propre du vecteur en lecture: 20.70 Rdmodfacs> Numero du vecteur CERFACS en lecture: 62 Rdmodfacs> Valeur propre du vecteur en lecture: 21.25 Rdmodfacs> Numero du vecteur CERFACS en lecture: 63 Rdmodfacs> Valeur propre du vecteur en lecture: 21.54 Rdmodfacs> Numero du vecteur CERFACS en lecture: 64 Rdmodfacs> Valeur propre du vecteur en lecture: 21.90 Rdmodfacs> Numero du vecteur CERFACS en lecture: 65 Rdmodfacs> Valeur propre du vecteur en lecture: 22.09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 66 Rdmodfacs> Valeur propre du vecteur en lecture: 22.37 Rdmodfacs> Numero du vecteur CERFACS en lecture: 67 Rdmodfacs> Valeur propre du vecteur en lecture: 22.73 Rdmodfacs> Numero du vecteur CERFACS en lecture: 68 Rdmodfacs> Valeur propre du vecteur en lecture: 22.88 Rdmodfacs> Numero du vecteur CERFACS en lecture: 69 Rdmodfacs> Valeur propre du vecteur en lecture: 23.85 Rdmodfacs> Numero du vecteur CERFACS en lecture: 70 Rdmodfacs> Valeur propre du vecteur en lecture: 24.05 Rdmodfacs> Numero du vecteur CERFACS en lecture: 71 Rdmodfacs> Valeur propre du vecteur en lecture: 24.73 Rdmodfacs> Numero du vecteur CERFACS en lecture: 72 Rdmodfacs> Valeur propre du vecteur en lecture: 25.46 Rdmodfacs> Numero du vecteur CERFACS en lecture: 73 Rdmodfacs> Valeur propre du vecteur en lecture: 25.53 Rdmodfacs> Numero du vecteur CERFACS en lecture: 74 Rdmodfacs> Valeur propre du vecteur en lecture: 25.83 Rdmodfacs> Numero du vecteur CERFACS en lecture: 75 Rdmodfacs> Valeur propre du vecteur en lecture: 26.12 Rdmodfacs> Numero du vecteur CERFACS en lecture: 76 Rdmodfacs> Valeur propre du vecteur en lecture: 26.36 Rdmodfacs> Numero du vecteur CERFACS en lecture: 77 Rdmodfacs> Valeur propre du vecteur en lecture: 26.79 Rdmodfacs> Numero du vecteur CERFACS en lecture: 78 Rdmodfacs> Valeur propre du vecteur en lecture: 26.89 Rdmodfacs> Numero du vecteur CERFACS en lecture: 79 Rdmodfacs> Valeur propre du vecteur en lecture: 27.46 Rdmodfacs> Numero du vecteur CERFACS en lecture: 80 Rdmodfacs> Valeur propre du vecteur en lecture: 27.74 Rdmodfacs> Numero du vecteur CERFACS en lecture: 81 Rdmodfacs> Valeur propre du vecteur en lecture: 28.25 Rdmodfacs> Numero du vecteur CERFACS en lecture: 82 Rdmodfacs> Valeur propre du vecteur en lecture: 28.65 Rdmodfacs> Numero du vecteur CERFACS en lecture: 83 Rdmodfacs> Valeur propre du vecteur en lecture: 28.93 Rdmodfacs> Numero du vecteur CERFACS en lecture: 84 Rdmodfacs> Valeur propre du vecteur en lecture: 29.19 Rdmodfacs> Numero du vecteur CERFACS en lecture: 85 Rdmodfacs> Valeur propre du vecteur en lecture: 29.55 Rdmodfacs> Numero du vecteur CERFACS en lecture: 86 Rdmodfacs> Valeur propre du vecteur en lecture: 30.10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 87 Rdmodfacs> Valeur propre du vecteur en lecture: 30.37 Rdmodfacs> Numero du vecteur CERFACS en lecture: 88 Rdmodfacs> Valeur propre du vecteur en lecture: 30.96 Rdmodfacs> Numero du vecteur CERFACS en lecture: 89 Rdmodfacs> Valeur propre du vecteur en lecture: 31.05 Rdmodfacs> Numero du vecteur CERFACS en lecture: 90 Rdmodfacs> Valeur propre du vecteur en lecture: 31.28 Rdmodfacs> Numero du vecteur CERFACS en lecture: 91 Rdmodfacs> Valeur propre du vecteur en lecture: 31.82 Rdmodfacs> Numero du vecteur CERFACS en lecture: 92 Rdmodfacs> Valeur propre du vecteur en lecture: 32.03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 93 Rdmodfacs> Valeur propre du vecteur en lecture: 32.58 Rdmodfacs> Numero du vecteur CERFACS en lecture: 94 Rdmodfacs> Valeur propre du vecteur en lecture: 32.91 Rdmodfacs> Numero du vecteur CERFACS en lecture: 95 Rdmodfacs> Valeur propre du vecteur en lecture: 33.25 Rdmodfacs> Numero du vecteur CERFACS en lecture: 96 Rdmodfacs> Valeur propre du vecteur en lecture: 33.55 Rdmodfacs> Numero du vecteur CERFACS en lecture: 97 Rdmodfacs> Valeur propre du vecteur en lecture: 34.30 Rdmodfacs> Numero du vecteur CERFACS en lecture: 98 Rdmodfacs> Valeur propre du vecteur en lecture: 34.43 Rdmodfacs> Numero du vecteur CERFACS en lecture: 99 Rdmodfacs> Valeur propre du vecteur en lecture: 35.12 Rdmodfacs> Numero du vecteur CERFACS en lecture: 100 Rdmodfacs> Valeur propre du vecteur en lecture: 35.24 Rdmodfacs> Numero du vecteur CERFACS en lecture: 101 Rdmodfacs> Valeur propre du vecteur en lecture: 35.75 Rdmodfacs> Numero du vecteur CERFACS en lecture: 102 Rdmodfacs> Valeur propre du vecteur en lecture: 35.98 Rdmodfacs> Numero du vecteur CERFACS en lecture: 103 Rdmodfacs> Valeur propre du vecteur en lecture: 36.64 Rdmodfacs> Numero du vecteur CERFACS en lecture: 104 Rdmodfacs> Valeur propre du vecteur en lecture: 36.69 Rdmodfacs> Numero du vecteur CERFACS en lecture: 105 Rdmodfacs> Valeur propre du vecteur en lecture: 37.22 Rdmodfacs> Numero du vecteur CERFACS en lecture: 106 Rdmodfacs> Valeur propre du vecteur en lecture: 37.68 Bfactors> 106 vectors, 35208 coordinates in file. Openam> file on opening on unit 12: bfactors.pred Bfactors> Best zero-eigenvalue found : 0.000000 Bfactors> 6 eigenvalues less than : 0.000000 Bfactors> Lowest non-zero eigenvalue : 0.162300 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= 0.693 for 1531 C-alpha atoms. Bfactors> = 0.034 +/- 0.04 Bfactors> = 77.169 +/- 29.30 Bfactors> Shiftng-fct= 77.135 Bfactors> Scaling-fct= 814.599 Bfactors> Predicted, Scaled and Experimental B-factors are saved. Bfactors> Normal end. check_modes getting mode 7 running: ../../bin/get_modes.sh 2401051809213978599 7 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 7 calculating perturbed structure for DQ=-100 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-80 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-60 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-40 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-20 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=0 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=20 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=40 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=60 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=80 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=100 2401051809213978599.eigenfacs 2401051809213978599.atom making animated gifs 11 models are in 2401051809213978599.7.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 2401051809213978599.7.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 2401051809213978599.7.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 2401051809213978599 8 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 8 calculating perturbed structure for DQ=-100 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-80 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-60 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-40 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-20 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=0 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=20 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=40 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=60 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=80 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=100 2401051809213978599.eigenfacs 2401051809213978599.atom making animated gifs 11 models are in 2401051809213978599.8.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 2401051809213978599.8.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 2401051809213978599.8.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 2401051809213978599 9 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 9 calculating perturbed structure for DQ=-100 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-80 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-60 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-40 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-20 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=0 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=20 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=40 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=60 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=80 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=100 2401051809213978599.eigenfacs 2401051809213978599.atom making animated gifs 11 models are in 2401051809213978599.9.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 2401051809213978599.9.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 2401051809213978599.9.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 2401051809213978599 10 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 10 calculating perturbed structure for DQ=-100 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-80 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-60 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-40 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-20 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=0 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=20 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=40 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=60 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=80 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=100 2401051809213978599.eigenfacs 2401051809213978599.atom making animated gifs 11 models are in 2401051809213978599.10.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 2401051809213978599.10.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 2401051809213978599.10.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 2401051809213978599 11 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 11 calculating perturbed structure for DQ=-100 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-80 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-60 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-40 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-20 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=0 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=20 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=40 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=60 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=80 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=100 2401051809213978599.eigenfacs 2401051809213978599.atom making animated gifs 11 models are in 2401051809213978599.11.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 2401051809213978599.11.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 2401051809213978599.11.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 getting mode 12 running: ../../bin/get_modes.sh 2401051809213978599 12 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 12 calculating perturbed structure for DQ=-100 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-80 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-60 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-40 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-20 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=0 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=20 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=40 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=60 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=80 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=100 2401051809213978599.eigenfacs 2401051809213978599.atom making animated gifs 11 models are in 2401051809213978599.12.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 2401051809213978599.12.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 2401051809213978599.12.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 13 running: ../../bin/get_modes.sh 2401051809213978599 13 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 13 calculating perturbed structure for DQ=-100 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-80 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-60 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-40 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-20 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=0 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=20 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=40 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=60 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=80 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=100 2401051809213978599.eigenfacs 2401051809213978599.atom making animated gifs 11 models are in 2401051809213978599.13.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 2401051809213978599.13.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 2401051809213978599.13.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 14 running: ../../bin/get_modes.sh 2401051809213978599 14 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 14 calculating perturbed structure for DQ=-100 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-80 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-60 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-40 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-20 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=0 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=20 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=40 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=60 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=80 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=100 2401051809213978599.eigenfacs 2401051809213978599.atom making animated gifs 11 models are in 2401051809213978599.14.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 2401051809213978599.14.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 2401051809213978599.14.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 15 running: ../../bin/get_modes.sh 2401051809213978599 15 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 15 calculating perturbed structure for DQ=-100 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-80 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-60 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-40 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-20 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=0 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=20 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=40 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=60 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=80 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=100 2401051809213978599.eigenfacs 2401051809213978599.atom making animated gifs 11 models are in 2401051809213978599.15.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 2401051809213978599.15.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 2401051809213978599.15.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 16 running: ../../bin/get_modes.sh 2401051809213978599 16 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 16 calculating perturbed structure for DQ=-100 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-80 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-60 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-40 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-20 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=0 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=20 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=40 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=60 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=80 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=100 2401051809213978599.eigenfacs 2401051809213978599.atom making animated gifs 11 models are in 2401051809213978599.16.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 2401051809213978599.16.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 2401051809213978599.16.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 17 running: ../../bin/get_modes.sh 2401051809213978599 17 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 17 calculating perturbed structure for DQ=-100 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-80 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-60 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-40 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-20 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=0 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=20 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=40 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=60 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=80 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=100 2401051809213978599.eigenfacs 2401051809213978599.atom making animated gifs 11 models are in 2401051809213978599.17.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 2401051809213978599.17.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 2401051809213978599.17.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 18 running: ../../bin/get_modes.sh 2401051809213978599 18 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 18 calculating perturbed structure for DQ=-100 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-80 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-60 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-40 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-20 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=0 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=20 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=40 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=60 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=80 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=100 2401051809213978599.eigenfacs 2401051809213978599.atom making animated gifs 11 models are in 2401051809213978599.18.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 2401051809213978599.18.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 2401051809213978599.18.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 19 running: ../../bin/get_modes.sh 2401051809213978599 19 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 19 calculating perturbed structure for DQ=-100 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-80 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-60 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-40 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-20 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=0 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=20 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=40 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=60 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=80 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=100 2401051809213978599.eigenfacs 2401051809213978599.atom making animated gifs 11 models are in 2401051809213978599.19.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 2401051809213978599.19.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 2401051809213978599.19.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 20 running: ../../bin/get_modes.sh 2401051809213978599 20 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 20 calculating perturbed structure for DQ=-100 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-80 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-60 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-40 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-20 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=0 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=20 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=40 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=60 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=80 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=100 2401051809213978599.eigenfacs 2401051809213978599.atom making animated gifs 11 models are in 2401051809213978599.20.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 2401051809213978599.20.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 2401051809213978599.20.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 21 running: ../../bin/get_modes.sh 2401051809213978599 21 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 21 calculating perturbed structure for DQ=-100 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-80 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-60 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-40 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-20 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=0 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=20 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=40 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=60 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=80 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=100 2401051809213978599.eigenfacs 2401051809213978599.atom making animated gifs 11 models are in 2401051809213978599.21.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 2401051809213978599.21.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 2401051809213978599.21.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 22 running: ../../bin/get_modes.sh 2401051809213978599 22 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 22 calculating perturbed structure for DQ=-100 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-80 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-60 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-40 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-20 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=0 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=20 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=40 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=60 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=80 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=100 2401051809213978599.eigenfacs 2401051809213978599.atom making animated gifs 11 models are in 2401051809213978599.22.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 2401051809213978599.22.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 2401051809213978599.22.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 23 running: ../../bin/get_modes.sh 2401051809213978599 23 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 23 calculating perturbed structure for DQ=-100 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-80 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-60 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-40 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-20 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=0 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=20 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=40 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=60 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=80 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=100 2401051809213978599.eigenfacs 2401051809213978599.atom making animated gifs 11 models are in 2401051809213978599.23.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 2401051809213978599.23.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 2401051809213978599.23.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 24 running: ../../bin/get_modes.sh 2401051809213978599 24 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 24 calculating perturbed structure for DQ=-100 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-80 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-60 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-40 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-20 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=0 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=20 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=40 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=60 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=80 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=100 2401051809213978599.eigenfacs 2401051809213978599.atom making animated gifs 11 models are in 2401051809213978599.24.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 2401051809213978599.24.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 2401051809213978599.24.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 25 running: ../../bin/get_modes.sh 2401051809213978599 25 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 25 calculating perturbed structure for DQ=-100 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-80 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-60 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-40 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-20 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=0 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=20 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=40 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=60 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=80 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=100 2401051809213978599.eigenfacs 2401051809213978599.atom making animated gifs 11 models are in 2401051809213978599.25.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 2401051809213978599.25.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 2401051809213978599.25.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 26 running: ../../bin/get_modes.sh 2401051809213978599 26 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 26 calculating perturbed structure for DQ=-100 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-80 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-60 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-40 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-20 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=0 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=20 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=40 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=60 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=80 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=100 2401051809213978599.eigenfacs 2401051809213978599.atom making animated gifs 11 models are in 2401051809213978599.26.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 2401051809213978599.26.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 2401051809213978599.26.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 27 running: ../../bin/get_modes.sh 2401051809213978599 27 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 27 calculating perturbed structure for DQ=-100 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-80 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-60 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-40 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-20 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=0 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=20 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=40 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=60 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=80 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=100 2401051809213978599.eigenfacs 2401051809213978599.atom making animated gifs 11 models are in 2401051809213978599.27.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 2401051809213978599.27.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 2401051809213978599.27.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 28 running: ../../bin/get_modes.sh 2401051809213978599 28 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 28 calculating perturbed structure for DQ=-100 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-80 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-60 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-40 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-20 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=0 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=20 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=40 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=60 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=80 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=100 2401051809213978599.eigenfacs 2401051809213978599.atom making animated gifs 11 models are in 2401051809213978599.28.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 2401051809213978599.28.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 2401051809213978599.28.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 29 running: ../../bin/get_modes.sh 2401051809213978599 29 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 29 calculating perturbed structure for DQ=-100 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-80 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-60 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-40 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-20 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=0 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=20 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=40 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=60 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=80 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=100 2401051809213978599.eigenfacs 2401051809213978599.atom making animated gifs 11 models are in 2401051809213978599.29.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 2401051809213978599.29.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 2401051809213978599.29.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 30 running: ../../bin/get_modes.sh 2401051809213978599 30 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 30 calculating perturbed structure for DQ=-100 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-80 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-60 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-40 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-20 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=0 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=20 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=40 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=60 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=80 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=100 2401051809213978599.eigenfacs 2401051809213978599.atom making animated gifs 11 models are in 2401051809213978599.30.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 2401051809213978599.30.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 2401051809213978599.30.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 31 running: ../../bin/get_modes.sh 2401051809213978599 31 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 31 calculating perturbed structure for DQ=-100 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-80 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-60 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-40 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=-20 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=0 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=20 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=40 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=60 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=80 2401051809213978599.eigenfacs 2401051809213978599.atom calculating perturbed structure for DQ=100 2401051809213978599.eigenfacs 2401051809213978599.atom making animated gifs 11 models are in 2401051809213978599.31.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 2401051809213978599.31.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 2401051809213978599.31.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 2401051809213978599.10.pdb 2401051809213978599.11.pdb 2401051809213978599.12.pdb 2401051809213978599.13.pdb 2401051809213978599.14.pdb 2401051809213978599.15.pdb 2401051809213978599.16.pdb 2401051809213978599.17.pdb 2401051809213978599.18.pdb 2401051809213978599.19.pdb 2401051809213978599.20.pdb 2401051809213978599.21.pdb 2401051809213978599.22.pdb 2401051809213978599.23.pdb 2401051809213978599.24.pdb 2401051809213978599.25.pdb 2401051809213978599.26.pdb 2401051809213978599.27.pdb 2401051809213978599.28.pdb 2401051809213978599.29.pdb 2401051809213978599.30.pdb 2401051809213978599.31.pdb 2401051809213978599.7.pdb 2401051809213978599.8.pdb 2401051809213978599.9.pdb STDERR: Note: The following floating-point exceptions are signalling: IEEE_DENORMAL real 1m6.967s user 1m6.698s sys 0m0.244s ../../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: 2401051809213978599.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 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Last modification: April 25th, 2023.