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***  1nl2_dpe  ***

LOGs for ID: 22071420215265552

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 = 22071420215265552.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 22071420215265552.atom to be opened. Openam> File opened: 22071420215265552.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 = 154 First residue number = 1 Last residue number = 452 Number of atoms found = 2261 Mean number per residue = 14.7 Pdbmat> Coordinate statistics: = 13.766069 +/- 8.873853 From: -9.959000 To: 31.557000 = 40.724085 +/- 7.940021 From: 22.821000 To: 62.078000 = 109.517790 +/- 13.310142 From: 80.908000 To: 138.669000 Pdbmat> Masses are all set to one. %Pdbmat-W> residue:'HSD ' is not a well known amino-acid. %Pdbmat-W> residue:'HSD ' is not a well known amino-acid. %Pdbmat-W> residue:'CAL ' is not a well known amino-acid. %Pdbmat-W> residue:'CAL ' is not a well known amino-acid. %Pdbmat-W> residue:'CAL ' is not a well known amino-acid. %Pdbmat-W> residue:'CAL ' is not a well known amino-acid. %Pdbmat-W> residue:'CAL ' is not a well known amino-acid. %Pdbmat-W> residue:'CAL ' is not a well known amino-acid. %Pdbmat-W> residue:'CAL ' is not a well known amino-acid. %Pdbmat-W> ........ %Pdbmat-W> 10 residue(s) not known. Openam> File opened: pdbmat.xyzm Pdbmat> Coordinates and masses considered are saved. Openam> File opened: pdbmat.sdijb Pdbmat> Matrix statistics: Pdbmat> The matrix is 6.4805 % Filled. Pdbmat> 1491037 non-zero elements. Pdbmat> 164194 atom-atom interactions. Pdbmat> Number per atom= 145.24 +/- 45.60 Maximum number = 242 Minimum number = 27 Pdbmat> Matrix trace = 3.283880E+06 Pdbmat> Larger element = 863.274 Pdbmat> 0 elements larger than +/- 1.0E+10 Pdbmat> Normal end. automatic determination of NRBL (NRBL = nresidues/200 + 1) 154 non-zero elements, NRBL set to 1 Diagonalize Tirion matrix using diagrtb Diagrtb> Diagonalizes a matrix, using the RTB/BNM approximation. Diagrtb> Version 2.52, November 2004. Diagrtb> Options to be read in diagrtb.dat file. Diagrtb> Options taken into account: MATRix filename = pdbmat.sdijb COORdinates filename = 22071420215265552.atom Eigenvector OUTPut file = matrix.eigenrtb Nb of VECTors required = 106 EigeNVALues chosen = LOWE Type of SUBStructuring = NONE Nb of residues per BLOck = 1 Origin of MASS values = CONS MATRix FORMat = BINA Temporary files cleaning = ALL Output PRINting level = 2 Diagrtb> Memory allocation for Blocpdb. Blocpdb> Entering in. Openam> file on opening on unit 10: diagrtb_work.xyzm Blocpdb> Coordinate file 22071420215265552.atom to be opened. Openam> file on opening on unit 11: 22071420215265552.atom Blocpdb> Coordinate file in PDB format. Blocpdb> 2261 atoms picked in pdb file. Blocpdb> All masses set to unity. Blocpdb> Coordinate file is rewritten. Blocpdb> Substructuring: Blocpdb> 1 residue(s) per block. Blocpdb> 154 residues. Blocpdb> 12 atoms in block 1 Block first atom: 1 Blocpdb> 14 atoms in block 2 Block first atom: 13 Blocpdb> 22 atoms in block 3 Block first atom: 27 Blocpdb> 7 atoms in block 4 Block first atom: 49 Blocpdb> 20 atoms in block 5 Block first atom: 56 Blocpdb> 19 atoms in block 6 Block first atom: 76 Blocpdb> 15 atoms in block 7 Block first atom: 95 Blocpdb> 15 atoms in block 8 Block first atom: 110 Blocpdb> 16 atoms in block 9 Block first atom: 125 Blocpdb> 24 atoms in block 10 Block first atom: 141 Blocpdb> 22 atoms in block 11 Block first atom: 165 Blocpdb> 7 atoms in block 12 Block first atom: 187 Blocpdb> 14 atoms in block 13 Block first atom: 194 Blocpdb> 19 atoms in block 14 Block first atom: 208 Blocpdb> 15 atoms in block 15 Block first atom: 227 Blocpdb> 24 atoms in block 16 Block first atom: 242 Blocpdb> 15 atoms in block 17 Block first atom: 266 Blocpdb> 10 atoms in block 18 Block first atom: 281 Blocpdb> 19 atoms in block 19 Block first atom: 291 Blocpdb> 15 atoms in block 20 Block first atom: 310 Blocpdb> 15 atoms in block 21 Block first atom: 325 Blocpdb> 14 atoms in block 22 Block first atom: 340 Blocpdb> 10 atoms in block 23 Block first atom: 354 Blocpdb> 11 atoms in block 24 Block first atom: 364 Blocpdb> 24 atoms in block 25 Block first atom: 375 Blocpdb> 15 atoms in block 26 Block first atom: 399 Blocpdb> 15 atoms in block 27 Block first atom: 414 Blocpdb> 10 atoms in block 28 Block first atom: 429 Blocpdb> 20 atoms in block 29 Block first atom: 439 Blocpdb> 15 atoms in block 30 Block first atom: 459 Blocpdb> 10 atoms in block 31 Block first atom: 474 Blocpdb> 19 atoms in block 32 Block first atom: 484 Blocpdb> 15 atoms in block 33 Block first atom: 503 Blocpdb> 11 atoms in block 34 Block first atom: 518 Blocpdb> 19 atoms in block 35 Block first atom: 529 Blocpdb> 11 atoms in block 36 Block first atom: 548 Blocpdb> 10 atoms in block 37 Block first atom: 559 Blocpdb> 14 atoms in block 38 Block first atom: 569 Blocpdb> 12 atoms in block 39 Block first atom: 583 Blocpdb> 10 atoms in block 40 Block first atom: 595 Blocpdb> 20 atoms in block 41 Block first atom: 605 Blocpdb> 24 atoms in block 42 Block first atom: 625 Blocpdb> 10 atoms in block 43 Block first atom: 649 Blocpdb> 22 atoms in block 44 Block first atom: 659 Blocpdb> 21 atoms in block 45 Block first atom: 681 Blocpdb> 14 atoms in block 46 Block first atom: 702 Blocpdb> 10 atoms in block 47 Block first atom: 716 Blocpdb> 10 atoms in block 48 Block first atom: 726 Blocpdb> 15 atoms in block 49 Block first atom: 736 Blocpdb> 11 atoms in block 50 Block first atom: 751 Blocpdb> 10 atoms in block 51 Block first atom: 762 Blocpdb> 24 atoms in block 52 Block first atom: 772 Blocpdb> 14 atoms in block 53 Block first atom: 796 Blocpdb> 14 atoms in block 54 Block first atom: 810 Blocpdb> 24 atoms in block 55 Block first atom: 824 Blocpdb> 15 atoms in block 56 Block first atom: 848 Blocpdb> 22 atoms in block 57 Block first atom: 863 Blocpdb> 19 atoms in block 58 Block first atom: 885 Blocpdb> 14 atoms in block 59 Block first atom: 904 Blocpdb> 15 atoms in block 60 Block first atom: 918 Blocpdb> 10 atoms in block 61 Block first atom: 933 Blocpdb> 19 atoms in block 62 Block first atom: 943 Blocpdb> 15 atoms in block 63 Block first atom: 962 Blocpdb> 7 atoms in block 64 Block first atom: 977 Blocpdb> 14 atoms in block 65 Block first atom: 984 Blocpdb> 10 atoms in block 66 Block first atom: 998 Blocpdb> 10 atoms in block 67 Block first atom: 1008 Blocpdb> 15 atoms in block 68 Block first atom: 1018 Blocpdb> 7 atoms in block 69 Block first atom: 1033 Blocpdb> 16 atoms in block 70 Block first atom: 1040 Blocpdb> 7 atoms in block 71 Block first atom: 1056 Blocpdb> 17 atoms in block 72 Block first atom: 1063 Blocpdb> 14 atoms in block 73 Block first atom: 1080 Blocpdb> 21 atoms in block 74 Block first atom: 1094 Blocpdb> 24 atoms in block 75 Block first atom: 1115 Blocpdb> 7 atoms in block 76 Block first atom: 1139 Blocpdb> 14 atoms in block 77 Block first atom: 1146 Blocpdb> 16 atoms in block 78 Block first atom: 1160 Blocpdb> 11 atoms in block 79 Block first atom: 1176 Blocpdb> 16 atoms in block 80 Block first atom: 1187 Blocpdb> 14 atoms in block 81 Block first atom: 1203 Blocpdb> 24 atoms in block 82 Block first atom: 1217 Blocpdb> 11 atoms in block 83 Block first atom: 1241 Blocpdb> 7 atoms in block 84 Block first atom: 1252 Blocpdb> 19 atoms in block 85 Block first atom: 1259 Blocpdb> 15 atoms in block 86 Block first atom: 1278 Blocpdb> 10 atoms in block 87 Block first atom: 1293 Blocpdb> 17 atoms in block 88 Block first atom: 1303 Blocpdb> 19 atoms in block 89 Block first atom: 1320 Blocpdb> 24 atoms in block 90 Block first atom: 1339 Blocpdb> 24 atoms in block 91 Block first atom: 1363 Blocpdb> 11 atoms in block 92 Block first atom: 1387 Blocpdb> 24 atoms in block 93 Block first atom: 1398 Blocpdb> 21 atoms in block 94 Block first atom: 1422 Blocpdb> 14 atoms in block 95 Block first atom: 1443 Blocpdb> 17 atoms in block 96 Block first atom: 1457 Blocpdb> 22 atoms in block 97 Block first atom: 1474 Blocpdb> 14 atoms in block 98 Block first atom: 1496 Blocpdb> 15 atoms in block 99 Block first atom: 1510 Blocpdb> 19 atoms in block 100 Block first atom: 1525 Blocpdb> 14 atoms in block 101 Block first atom: 1544 Blocpdb> 11 atoms in block 102 Block first atom: 1558 Blocpdb> 14 atoms in block 103 Block first atom: 1569 Blocpdb> 14 atoms in block 104 Block first atom: 1583 Blocpdb> 17 atoms in block 105 Block first atom: 1597 Blocpdb> 14 atoms in block 106 Block first atom: 1614 Blocpdb> 7 atoms in block 107 Block first atom: 1628 Blocpdb> 10 atoms in block 108 Block first atom: 1635 Blocpdb> 12 atoms in block 109 Block first atom: 1645 Blocpdb> 19 atoms in block 110 Block first atom: 1657 Blocpdb> 24 atoms in block 111 Block first atom: 1676 Blocpdb> 15 atoms in block 112 Block first atom: 1700 Blocpdb> 14 atoms in block 113 Block first atom: 1715 Blocpdb> 20 atoms in block 114 Block first atom: 1729 Blocpdb> 10 atoms in block 115 Block first atom: 1749 Blocpdb> 24 atoms in block 116 Block first atom: 1759 Blocpdb> 14 atoms in block 117 Block first atom: 1783 Blocpdb> 14 atoms in block 118 Block first atom: 1797 Blocpdb> 12 atoms in block 119 Block first atom: 1811 Blocpdb> 7 atoms in block 120 Block first atom: 1823 Blocpdb> 11 atoms in block 121 Block first atom: 1830 Blocpdb> 19 atoms in block 122 Block first atom: 1841 Blocpdb> 14 atoms in block 123 Block first atom: 1860 Blocpdb> 7 atoms in block 124 Block first atom: 1874 Blocpdb> 14 atoms in block 125 Block first atom: 1881 Blocpdb> 24 atoms in block 126 Block first atom: 1895 Blocpdb> 10 atoms in block 127 Block first atom: 1919 Blocpdb> 21 atoms in block 128 Block first atom: 1929 Blocpdb> 14 atoms in block 129 Block first atom: 1950 Blocpdb> 14 atoms in block 130 Block first atom: 1964 Blocpdb> 11 atoms in block 131 Block first atom: 1978 Blocpdb> 14 atoms in block 132 Block first atom: 1989 Blocpdb> 14 atoms in block 133 Block first atom: 2003 Blocpdb> 19 atoms in block 134 Block first atom: 2017 Blocpdb> 24 atoms in block 135 Block first atom: 2036 Blocpdb> 24 atoms in block 136 Block first atom: 2060 Blocpdb> 15 atoms in block 137 Block first atom: 2084 Blocpdb> 15 atoms in block 138 Block first atom: 2099 Blocpdb> 10 atoms in block 139 Block first atom: 2114 Blocpdb> 11 atoms in block 140 Block first atom: 2124 Blocpdb> 16 atoms in block 141 Block first atom: 2135 Blocpdb> 14 atoms in block 142 Block first atom: 2151 Blocpdb> 16 atoms in block 143 Block first atom: 2165 Blocpdb> 10 atoms in block 144 Block first atom: 2181 Blocpdb> 7 atoms in block 145 Block first atom: 2191 Blocpdb> 20 atoms in block 146 Block first atom: 2198 %Blocpdb-Wn> 1 atoms in block 147 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 2218th, in residue H 201 %Blocpdb-Wn> It will be merged with next block. %Blocpdb-Wn> 2 atoms in block 147 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 2219th, in residue H 202 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 3 atoms in block 147 Block first atom: 2218 %Blocpdb-Wn> 1 atoms in block 148 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 2221th, in residue H 204 %Blocpdb-Wn> It will be merged with next block. %Blocpdb-Wn> 2 atoms in block 148 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 2222th, in residue H 205 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 3 atoms in block 148 Block first atom: 2221 %Blocpdb-Wn> 1 atoms in block 149 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 2224th, in residue H 207 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 38 atoms in block 149 Block first atom: 2223 Blocpdb> 149 blocks. Blocpdb> At most, 38 atoms in each of them. Blocpdb> At least, 3 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> 1491186 matrix lines read. Prepmat> Matrix order = 6783 Prepmat> Matrix trace = 3283880.0000 Prepmat> Last element read: 6783 6783 179.3715 Prepmat> 11176 lines saved. Prepmat> 9083 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: 2261 RTB> Total mass = 2261.0000 RTB> Number of atoms found in matrix: 2261 RTB> Number of blocks = 149 RTB> Projection begins. RTB> Projected matrix is being saved. RTB> Projected matrix trace = 398621.9588 RTB> 73077 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 = 894 Diagstd> Nb of non-zero elements: 73077 Diagstd> Projected matrix trace = 398621.9588 Openam> file on opening on unit 11: diagrtb_work.eigenfacs Diagstd> Diagonalization. Diagstd> 894 eigenvectors are computed. Diagstd> 106 of them to be saved. Diagstd> Sum of eigenvalues = 398621.9588 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 1.9619469 3.8717676 5.5360198 9.8790468 12.1168507 12.9260587 16.4226090 18.4740861 19.8173358 24.4430062 26.5921224 27.8797813 30.2521317 32.7376072 33.1976369 36.6862784 39.5830150 40.4875809 44.7851459 47.8086288 49.0655263 51.0795761 51.7517884 55.1532623 55.2717155 58.5271531 61.0271939 63.9322612 65.4026627 65.5153480 69.5714693 70.6699925 72.7025981 73.6053006 74.4898348 77.3383036 79.6947318 81.8349387 82.9154180 88.8288503 91.5434289 93.4946857 94.1736285 97.6292981 99.6704400 101.1204597 103.7554251 106.2141275 107.0670579 107.8989053 110.4963377 113.1677186 113.7339413 115.2866763 116.5003851 118.2023220 121.3687793 122.6555523 124.2802744 125.3334269 126.1880094 127.6475306 129.7123284 131.7857422 134.0281374 134.6546452 137.7097708 140.3564527 140.6846556 143.4729845 145.4360311 146.6586791 147.3208075 150.0070317 150.5587312 152.9135540 153.2904828 156.3222025 157.2522258 158.9334777 159.1105936 162.1705734 163.4808959 164.4180398 167.4021316 167.5180591 171.6248421 171.9243737 175.0592442 175.7114789 176.7497144 177.7240569 178.2022413 179.6277683 180.8148376 181.5778648 185.6644501 187.0826593 188.8442697 189.7238073 Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units): 0.0034327 0.0034346 0.0034349 0.0034356 0.0034370 0.0034377 152.1033925 213.6731340 255.5018797 341.3129783 377.9985719 390.4166600 440.0645211 466.7418707 483.4125432 536.8742679 559.9790515 573.3765950 597.2735350 621.3248836 625.6750913 657.7291791 683.2029230 690.9652317 726.7119081 750.8417689 760.6476207 776.1022142 781.1923135 806.4563819 807.3219349 830.7569442 848.3146765 868.2710341 878.1991153 878.9553347 905.7552664 912.8781302 925.9131369 931.6436442 937.2248296 954.9763165 969.4157851 982.3464072 988.8101765 1023.4633630 1038.9840204 1049.9986563 1053.8042174 1072.9645259 1084.1227750 1091.9802860 1106.1160330 1119.1451663 1123.6297118 1127.9862338 1141.4824066 1155.1983519 1158.0847027 1165.9631896 1172.0846027 1180.6149660 1196.3238810 1202.6489775 1210.5880482 1215.7064963 1219.8440861 1226.8783111 1236.7613590 1246.6068061 1257.1678651 1260.1027235 1274.3175316 1286.5049811 1288.0082539 1300.7096029 1309.5777491 1315.0708910 1318.0361613 1329.9983094 1332.4418151 1342.8214542 1344.4754497 1357.7056116 1361.7383890 1368.9985039 1369.7610994 1382.8698450 1388.4453322 1392.4192328 1404.9982140 1405.4846168 1422.6083570 1423.8492334 1436.7718313 1439.4459009 1443.6923014 1447.6660492 1449.6122862 1455.3988164 1460.1998956 1463.2776280 1479.6522472 1485.2927033 1492.2692361 1495.7403030 Diagstd> Normal end. Rtb_to_modes> Entering in. Rtb_to_modes> Number of atoms in temporary block-file = 2261 Rtb_to_modes> Number of blocs = 149 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: 9.9924E-10 Rdmodfacs> Eigenvector number: 2 Rdmodfacs> Corresponding eigenvalue: 1.0004E-09 Rdmodfacs> Eigenvector number: 3 Rdmodfacs> Corresponding eigenvalue: 1.0006E-09 Rdmodfacs> Eigenvector number: 4 Rdmodfacs> Corresponding eigenvalue: 1.0009E-09 Rdmodfacs> Eigenvector number: 5 Rdmodfacs> Corresponding eigenvalue: 1.0018E-09 Rdmodfacs> Eigenvector number: 6 Rdmodfacs> Corresponding eigenvalue: 1.0022E-09 Rdmodfacs> Eigenvector number: 7 Rdmodfacs> Corresponding eigenvalue: 1.962 Rdmodfacs> Eigenvector number: 8 Rdmodfacs> Corresponding eigenvalue: 3.872 Rdmodfacs> Eigenvector number: 9 Rdmodfacs> Corresponding eigenvalue: 5.536 Rdmodfacs> Eigenvector number: 10 Rdmodfacs> Corresponding eigenvalue: 9.879 Rdmodfacs> Eigenvector number: 11 Rdmodfacs> Corresponding eigenvalue: 12.12 Rdmodfacs> Eigenvector number: 12 Rdmodfacs> Corresponding eigenvalue: 12.93 Rdmodfacs> Eigenvector number: 13 Rdmodfacs> Corresponding eigenvalue: 16.42 Rdmodfacs> Eigenvector number: 14 Rdmodfacs> Corresponding eigenvalue: 18.47 Rdmodfacs> Eigenvector number: 15 Rdmodfacs> Corresponding eigenvalue: 19.82 Rdmodfacs> Eigenvector number: 16 Rdmodfacs> Corresponding eigenvalue: 24.44 Rdmodfacs> Eigenvector number: 17 Rdmodfacs> Corresponding eigenvalue: 26.59 Rdmodfacs> Eigenvector number: 18 Rdmodfacs> Corresponding eigenvalue: 27.88 Rdmodfacs> Eigenvector number: 19 Rdmodfacs> Corresponding eigenvalue: 30.25 Rdmodfacs> Eigenvector number: 20 Rdmodfacs> Corresponding eigenvalue: 32.74 Rdmodfacs> Eigenvector number: 21 Rdmodfacs> Corresponding eigenvalue: 33.20 Rdmodfacs> Eigenvector number: 22 Rdmodfacs> Corresponding eigenvalue: 36.69 Rdmodfacs> Eigenvector number: 23 Rdmodfacs> Corresponding eigenvalue: 39.58 Rdmodfacs> Eigenvector number: 24 Rdmodfacs> Corresponding eigenvalue: 40.49 Rdmodfacs> Eigenvector number: 25 Rdmodfacs> Corresponding eigenvalue: 44.79 Rdmodfacs> Eigenvector number: 26 Rdmodfacs> Corresponding eigenvalue: 47.81 Rdmodfacs> Eigenvector number: 27 Rdmodfacs> Corresponding eigenvalue: 49.07 Rdmodfacs> Eigenvector number: 28 Rdmodfacs> Corresponding eigenvalue: 51.08 Rdmodfacs> Eigenvector number: 29 Rdmodfacs> Corresponding eigenvalue: 51.75 Rdmodfacs> Eigenvector number: 30 Rdmodfacs> Corresponding eigenvalue: 55.15 Rdmodfacs> Eigenvector number: 31 Rdmodfacs> Corresponding eigenvalue: 55.27 Rdmodfacs> Eigenvector number: 32 Rdmodfacs> Corresponding eigenvalue: 58.53 Rdmodfacs> Eigenvector number: 33 Rdmodfacs> Corresponding eigenvalue: 61.03 Rdmodfacs> Eigenvector number: 34 Rdmodfacs> Corresponding eigenvalue: 63.93 Rdmodfacs> Eigenvector number: 35 Rdmodfacs> Corresponding eigenvalue: 65.40 Rdmodfacs> Eigenvector number: 36 Rdmodfacs> Corresponding eigenvalue: 65.52 Rdmodfacs> Eigenvector number: 37 Rdmodfacs> Corresponding eigenvalue: 69.57 Rdmodfacs> Eigenvector number: 38 Rdmodfacs> Corresponding eigenvalue: 70.67 Rdmodfacs> Eigenvector number: 39 Rdmodfacs> Corresponding eigenvalue: 72.70 Rdmodfacs> Eigenvector number: 40 Rdmodfacs> Corresponding eigenvalue: 73.61 Rdmodfacs> Eigenvector number: 41 Rdmodfacs> Corresponding eigenvalue: 74.49 Rdmodfacs> Eigenvector number: 42 Rdmodfacs> Corresponding eigenvalue: 77.34 Rdmodfacs> Eigenvector number: 43 Rdmodfacs> Corresponding eigenvalue: 79.69 Rdmodfacs> Eigenvector number: 44 Rdmodfacs> Corresponding eigenvalue: 81.83 Rdmodfacs> Eigenvector number: 45 Rdmodfacs> Corresponding eigenvalue: 82.92 Rdmodfacs> Eigenvector number: 46 Rdmodfacs> Corresponding eigenvalue: 88.83 Rdmodfacs> Eigenvector number: 47 Rdmodfacs> Corresponding eigenvalue: 91.54 Rdmodfacs> Eigenvector number: 48 Rdmodfacs> Corresponding eigenvalue: 93.49 Rdmodfacs> Eigenvector number: 49 Rdmodfacs> Corresponding eigenvalue: 94.17 Rdmodfacs> Eigenvector number: 50 Rdmodfacs> Corresponding eigenvalue: 97.63 Rdmodfacs> Eigenvector number: 51 Rdmodfacs> Corresponding eigenvalue: 99.67 Rdmodfacs> Eigenvector number: 52 Rdmodfacs> Corresponding eigenvalue: 101.1 Rdmodfacs> Eigenvector number: 53 Rdmodfacs> Corresponding eigenvalue: 103.8 Rdmodfacs> Eigenvector number: 54 Rdmodfacs> Corresponding eigenvalue: 106.2 Rdmodfacs> Eigenvector number: 55 Rdmodfacs> Corresponding eigenvalue: 107.1 Rdmodfacs> Eigenvector number: 56 Rdmodfacs> Corresponding eigenvalue: 107.9 Rdmodfacs> Eigenvector number: 57 Rdmodfacs> Corresponding eigenvalue: 110.5 Rdmodfacs> Eigenvector number: 58 Rdmodfacs> Corresponding eigenvalue: 113.2 Rdmodfacs> Eigenvector number: 59 Rdmodfacs> Corresponding eigenvalue: 113.7 Rdmodfacs> Eigenvector number: 60 Rdmodfacs> Corresponding eigenvalue: 115.3 Rdmodfacs> Eigenvector number: 61 Rdmodfacs> Corresponding eigenvalue: 116.5 Rdmodfacs> Eigenvector number: 62 Rdmodfacs> Corresponding eigenvalue: 118.2 Rdmodfacs> Eigenvector number: 63 Rdmodfacs> Corresponding eigenvalue: 121.4 Rdmodfacs> Eigenvector number: 64 Rdmodfacs> Corresponding eigenvalue: 122.7 Rdmodfacs> Eigenvector number: 65 Rdmodfacs> Corresponding eigenvalue: 124.3 Rdmodfacs> Eigenvector number: 66 Rdmodfacs> Corresponding eigenvalue: 125.3 Rdmodfacs> Eigenvector number: 67 Rdmodfacs> Corresponding eigenvalue: 126.2 Rdmodfacs> Eigenvector number: 68 Rdmodfacs> Corresponding eigenvalue: 127.6 Rdmodfacs> Eigenvector number: 69 Rdmodfacs> Corresponding eigenvalue: 129.7 Rdmodfacs> Eigenvector number: 70 Rdmodfacs> Corresponding eigenvalue: 131.8 Rdmodfacs> Eigenvector number: 71 Rdmodfacs> Corresponding eigenvalue: 134.0 Rdmodfacs> Eigenvector number: 72 Rdmodfacs> Corresponding eigenvalue: 134.7 Rdmodfacs> Eigenvector number: 73 Rdmodfacs> Corresponding eigenvalue: 137.7 Rdmodfacs> Eigenvector number: 74 Rdmodfacs> Corresponding eigenvalue: 140.4 Rdmodfacs> Eigenvector number: 75 Rdmodfacs> Corresponding eigenvalue: 140.7 Rdmodfacs> Eigenvector number: 76 Rdmodfacs> Corresponding eigenvalue: 143.5 Rdmodfacs> Eigenvector number: 77 Rdmodfacs> Corresponding eigenvalue: 145.4 Rdmodfacs> Eigenvector number: 78 Rdmodfacs> Corresponding eigenvalue: 146.7 Rdmodfacs> Eigenvector number: 79 Rdmodfacs> Corresponding eigenvalue: 147.3 Rdmodfacs> Eigenvector number: 80 Rdmodfacs> Corresponding eigenvalue: 150.0 Rdmodfacs> Eigenvector number: 81 Rdmodfacs> Corresponding eigenvalue: 150.6 Rdmodfacs> Eigenvector number: 82 Rdmodfacs> Corresponding eigenvalue: 152.9 Rdmodfacs> Eigenvector number: 83 Rdmodfacs> Corresponding eigenvalue: 153.3 Rdmodfacs> Eigenvector number: 84 Rdmodfacs> Corresponding eigenvalue: 156.3 Rdmodfacs> Eigenvector number: 85 Rdmodfacs> Corresponding eigenvalue: 157.3 Rdmodfacs> Eigenvector number: 86 Rdmodfacs> Corresponding eigenvalue: 158.9 Rdmodfacs> Eigenvector number: 87 Rdmodfacs> Corresponding eigenvalue: 159.1 Rdmodfacs> Eigenvector number: 88 Rdmodfacs> Corresponding eigenvalue: 162.2 Rdmodfacs> Eigenvector number: 89 Rdmodfacs> Corresponding eigenvalue: 163.5 Rdmodfacs> Eigenvector number: 90 Rdmodfacs> Corresponding eigenvalue: 164.4 Rdmodfacs> Eigenvector number: 91 Rdmodfacs> Corresponding eigenvalue: 167.4 Rdmodfacs> Eigenvector number: 92 Rdmodfacs> Corresponding eigenvalue: 167.5 Rdmodfacs> Eigenvector number: 93 Rdmodfacs> Corresponding eigenvalue: 171.6 Rdmodfacs> Eigenvector number: 94 Rdmodfacs> Corresponding eigenvalue: 171.9 Rdmodfacs> Eigenvector number: 95 Rdmodfacs> Corresponding eigenvalue: 175.1 Rdmodfacs> Eigenvector number: 96 Rdmodfacs> Corresponding eigenvalue: 175.7 Rdmodfacs> Eigenvector number: 97 Rdmodfacs> Corresponding eigenvalue: 176.7 Rdmodfacs> Eigenvector number: 98 Rdmodfacs> Corresponding eigenvalue: 177.7 Rdmodfacs> Eigenvector number: 99 Rdmodfacs> Corresponding eigenvalue: 178.2 Rdmodfacs> Eigenvector number: 100 Rdmodfacs> Corresponding eigenvalue: 179.6 Rdmodfacs> Eigenvector number: 101 Rdmodfacs> Corresponding eigenvalue: 180.8 Rdmodfacs> Eigenvector number: 102 Rdmodfacs> Corresponding eigenvalue: 181.6 Rdmodfacs> Eigenvector number: 103 Rdmodfacs> Corresponding eigenvalue: 185.7 Rdmodfacs> Eigenvector number: 104 Rdmodfacs> Corresponding eigenvalue: 187.1 Rdmodfacs> Eigenvector number: 105 Rdmodfacs> Corresponding eigenvalue: 188.8 Rdmodfacs> Eigenvector number: 106 Rdmodfacs> Corresponding eigenvalue: 189.7 Rtb_to_modes> 106 vectors, with 894 coordinates in vector file. Norm of eigenvectors in projected coordinates (one expected): 1.00000 1.00000 1.00000 1.00002 1.00001 1.00000 1.00001 1.00001 1.00001 0.99996 1.00002 1.00003 1.00000 1.00001 1.00001 1.00001 1.00000 0.99997 1.00000 1.00001 1.00000 1.00002 1.00002 1.00003 0.99997 1.00000 1.00001 1.00001 0.99998 1.00001 1.00000 1.00001 0.99999 1.00001 1.00006 1.00003 0.99999 0.99999 1.00001 0.99998 0.99998 1.00003 0.99999 0.99998 1.00003 1.00000 0.99999 1.00002 0.99997 0.99997 1.00000 1.00001 1.00000 1.00000 1.00005 1.00000 1.00000 1.00002 1.00003 1.00001 1.00002 1.00001 0.99999 1.00001 1.00002 1.00002 1.00001 1.00000 1.00000 1.00000 1.00000 1.00000 0.99999 1.00002 1.00001 0.99999 1.00001 1.00000 1.00003 1.00001 0.99999 1.00003 1.00000 1.00001 1.00001 1.00000 1.00001 0.99999 0.99999 0.99999 0.99999 1.00001 0.99999 1.00000 0.99996 1.00000 1.00001 1.00002 1.00002 0.99998 1.00001 1.00002 1.00000 0.99998 0.99998 1.00000 Rtb_to_modes> RTB block-file is being read. Rtb_to_modes> 40698 lines found in RTB file. Norm of eigenvectors in cartesian coordinates (one expected): 1.00000 1.00000 1.00000 1.00002 1.00001 1.00000 1.00001 1.00001 1.00001 0.99996 1.00002 1.00003 1.00000 1.00001 1.00001 1.00001 1.00000 0.99997 1.00000 1.00001 1.00000 1.00002 1.00002 1.00003 0.99997 1.00000 1.00001 1.00001 0.99998 1.00001 1.00000 1.00001 0.99999 1.00001 1.00006 1.00003 0.99999 0.99999 1.00001 0.99998 0.99998 1.00003 0.99999 0.99998 1.00003 1.00000 0.99999 1.00002 0.99997 0.99997 1.00000 1.00001 1.00000 1.00000 1.00005 1.00000 1.00000 1.00002 1.00003 1.00001 1.00002 1.00001 0.99999 1.00001 1.00002 1.00002 1.00001 1.00000 1.00000 1.00000 1.00000 1.00000 0.99999 1.00002 1.00001 0.99999 1.00001 1.00000 1.00003 1.00001 0.99999 1.00003 1.00000 1.00001 1.00001 1.00000 1.00001 0.99999 0.99999 0.99999 0.99999 1.00001 0.99999 1.00000 0.99996 1.00000 1.00001 1.00002 1.00002 0.99998 1.00001 1.00002 1.00000 0.99998 0.99998 1.00000 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> 22071420215265552.eigenfacs Openam> file on opening on unit 10: 22071420215265552.eigenfacs Getnam> Corresponding pdb filename ? Getnam> 22071420215265552.atom Openam> file on opening on unit 11: 22071420215265552.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 = 154 First residue number = 1 Last residue number = 452 Number of atoms found = 2261 Mean number per residue = 14.7 Rdmodfacs> Old Blzpack file format detected. Rdmodfacs> Numero du vecteur CERFACS en lecture: 1 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9924E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 2 Rdmodfacs> Valeur propre du vecteur en lecture: 1.0004E-09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 3 Rdmodfacs> Valeur propre du vecteur en lecture: 1.0006E-09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 4 Rdmodfacs> Valeur propre du vecteur en lecture: 1.0009E-09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 5 Rdmodfacs> Valeur propre du vecteur en lecture: 1.0018E-09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 6 Rdmodfacs> Valeur propre du vecteur en lecture: 1.0022E-09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 7 Rdmodfacs> Valeur propre du vecteur en lecture: 1.962 Rdmodfacs> Numero du vecteur CERFACS en lecture: 8 Rdmodfacs> Valeur propre du vecteur en lecture: 3.872 Rdmodfacs> Numero du vecteur CERFACS en lecture: 9 Rdmodfacs> Valeur propre du vecteur en lecture: 5.536 Rdmodfacs> Numero du vecteur CERFACS en lecture: 10 Rdmodfacs> Valeur propre du vecteur en lecture: 9.879 Rdmodfacs> Numero du vecteur CERFACS en lecture: 11 Rdmodfacs> Valeur propre du vecteur en lecture: 12.12 Rdmodfacs> Numero du vecteur CERFACS en lecture: 12 Rdmodfacs> Valeur propre du vecteur en lecture: 12.93 Rdmodfacs> Numero du vecteur CERFACS en lecture: 13 Rdmodfacs> Valeur propre du vecteur en lecture: 16.42 Rdmodfacs> Numero du vecteur CERFACS en lecture: 14 Rdmodfacs> Valeur propre du vecteur en lecture: 18.47 Rdmodfacs> Numero du vecteur CERFACS en lecture: 15 Rdmodfacs> Valeur propre du vecteur en lecture: 19.82 Rdmodfacs> Numero du vecteur CERFACS en lecture: 16 Rdmodfacs> Valeur propre du vecteur en lecture: 24.44 Rdmodfacs> Numero du vecteur CERFACS en lecture: 17 Rdmodfacs> Valeur propre du vecteur en lecture: 26.59 Rdmodfacs> Numero du vecteur CERFACS en lecture: 18 Rdmodfacs> Valeur propre du vecteur en lecture: 27.88 Rdmodfacs> Numero du vecteur CERFACS en lecture: 19 Rdmodfacs> Valeur propre du vecteur en lecture: 30.25 Rdmodfacs> Numero du vecteur CERFACS en lecture: 20 Rdmodfacs> Valeur propre du vecteur en lecture: 32.74 Rdmodfacs> Numero du vecteur CERFACS en lecture: 21 Rdmodfacs> Valeur propre du vecteur en lecture: 33.20 Rdmodfacs> Numero du vecteur CERFACS en lecture: 22 Rdmodfacs> Valeur propre du vecteur en lecture: 36.69 Rdmodfacs> Numero du vecteur CERFACS en lecture: 23 Rdmodfacs> Valeur propre du vecteur en lecture: 39.58 Rdmodfacs> Numero du vecteur CERFACS en lecture: 24 Rdmodfacs> Valeur propre du vecteur en lecture: 40.49 Rdmodfacs> Numero du vecteur CERFACS en lecture: 25 Rdmodfacs> Valeur propre du vecteur en lecture: 44.79 Rdmodfacs> Numero du vecteur CERFACS en lecture: 26 Rdmodfacs> Valeur propre du vecteur en lecture: 47.81 Rdmodfacs> Numero du vecteur CERFACS en lecture: 27 Rdmodfacs> Valeur propre du vecteur en lecture: 49.07 Rdmodfacs> Numero du vecteur CERFACS en lecture: 28 Rdmodfacs> Valeur propre du vecteur en lecture: 51.08 Rdmodfacs> Numero du vecteur CERFACS en lecture: 29 Rdmodfacs> Valeur propre du vecteur en lecture: 51.75 Rdmodfacs> Numero du vecteur CERFACS en lecture: 30 Rdmodfacs> Valeur propre du vecteur en lecture: 55.15 Rdmodfacs> Numero du vecteur CERFACS en lecture: 31 Rdmodfacs> Valeur propre du vecteur en lecture: 55.27 Rdmodfacs> Numero du vecteur CERFACS en lecture: 32 Rdmodfacs> Valeur propre du vecteur en lecture: 58.53 Rdmodfacs> Numero du vecteur CERFACS en lecture: 33 Rdmodfacs> Valeur propre du vecteur en lecture: 61.03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 34 Rdmodfacs> Valeur propre du vecteur en lecture: 63.93 Rdmodfacs> Numero du vecteur CERFACS en lecture: 35 Rdmodfacs> Valeur propre du vecteur en lecture: 65.40 Rdmodfacs> Numero du vecteur CERFACS en lecture: 36 Rdmodfacs> Valeur propre du vecteur en lecture: 65.52 Rdmodfacs> Numero du vecteur CERFACS en lecture: 37 Rdmodfacs> Valeur propre du vecteur en lecture: 69.57 Rdmodfacs> Numero du vecteur CERFACS en lecture: 38 Rdmodfacs> Valeur propre du vecteur en lecture: 70.67 Rdmodfacs> Numero du vecteur CERFACS en lecture: 39 Rdmodfacs> Valeur propre du vecteur en lecture: 72.70 Rdmodfacs> Numero du vecteur CERFACS en lecture: 40 Rdmodfacs> Valeur propre du vecteur en lecture: 73.61 Rdmodfacs> Numero du vecteur CERFACS en lecture: 41 Rdmodfacs> Valeur propre du vecteur en lecture: 74.49 Rdmodfacs> Numero du vecteur CERFACS en lecture: 42 Rdmodfacs> Valeur propre du vecteur en lecture: 77.34 Rdmodfacs> Numero du vecteur CERFACS en lecture: 43 Rdmodfacs> Valeur propre du vecteur en lecture: 79.69 Rdmodfacs> Numero du vecteur CERFACS en lecture: 44 Rdmodfacs> Valeur propre du vecteur en lecture: 81.83 Rdmodfacs> Numero du vecteur CERFACS en lecture: 45 Rdmodfacs> Valeur propre du vecteur en lecture: 82.92 Rdmodfacs> Numero du vecteur CERFACS en lecture: 46 Rdmodfacs> Valeur propre du vecteur en lecture: 88.83 Rdmodfacs> Numero du vecteur CERFACS en lecture: 47 Rdmodfacs> Valeur propre du vecteur en lecture: 91.54 Rdmodfacs> Numero du vecteur CERFACS en lecture: 48 Rdmodfacs> Valeur propre du vecteur en lecture: 93.49 Rdmodfacs> Numero du vecteur CERFACS en lecture: 49 Rdmodfacs> Valeur propre du vecteur en lecture: 94.17 Rdmodfacs> Numero du vecteur CERFACS en lecture: 50 Rdmodfacs> Valeur propre du vecteur en lecture: 97.63 Rdmodfacs> Numero du vecteur CERFACS en lecture: 51 Rdmodfacs> Valeur propre du vecteur en lecture: 99.67 Rdmodfacs> Numero du vecteur CERFACS en lecture: 52 Rdmodfacs> Valeur propre du vecteur en lecture: 101.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 53 Rdmodfacs> Valeur propre du vecteur en lecture: 103.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 54 Rdmodfacs> Valeur propre du vecteur en lecture: 106.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 55 Rdmodfacs> Valeur propre du vecteur en lecture: 107.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 56 Rdmodfacs> Valeur propre du vecteur en lecture: 107.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 57 Rdmodfacs> Valeur propre du vecteur en lecture: 110.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 58 Rdmodfacs> Valeur propre du vecteur en lecture: 113.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 59 Rdmodfacs> Valeur propre du vecteur en lecture: 113.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 60 Rdmodfacs> Valeur propre du vecteur en lecture: 115.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 61 Rdmodfacs> Valeur propre du vecteur en lecture: 116.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 62 Rdmodfacs> Valeur propre du vecteur en lecture: 118.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 63 Rdmodfacs> Valeur propre du vecteur en lecture: 121.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 64 Rdmodfacs> Valeur propre du vecteur en lecture: 122.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 65 Rdmodfacs> Valeur propre du vecteur en lecture: 124.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 66 Rdmodfacs> Valeur propre du vecteur en lecture: 125.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 67 Rdmodfacs> Valeur propre du vecteur en lecture: 126.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 68 Rdmodfacs> Valeur propre du vecteur en lecture: 127.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 69 Rdmodfacs> Valeur propre du vecteur en lecture: 129.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 70 Rdmodfacs> Valeur propre du vecteur en lecture: 131.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 71 Rdmodfacs> Valeur propre du vecteur en lecture: 134.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 72 Rdmodfacs> Valeur propre du vecteur en lecture: 134.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 73 Rdmodfacs> Valeur propre du vecteur en lecture: 137.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 74 Rdmodfacs> Valeur propre du vecteur en lecture: 140.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 75 Rdmodfacs> Valeur propre du vecteur en lecture: 140.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 76 Rdmodfacs> Valeur propre du vecteur en lecture: 143.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 77 Rdmodfacs> Valeur propre du vecteur en lecture: 145.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 78 Rdmodfacs> Valeur propre du vecteur en lecture: 146.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 79 Rdmodfacs> Valeur propre du vecteur en lecture: 147.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 80 Rdmodfacs> Valeur propre du vecteur en lecture: 150.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 81 Rdmodfacs> Valeur propre du vecteur en lecture: 150.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 82 Rdmodfacs> Valeur propre du vecteur en lecture: 152.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 83 Rdmodfacs> Valeur propre du vecteur en lecture: 153.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 84 Rdmodfacs> Valeur propre du vecteur en lecture: 156.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 85 Rdmodfacs> Valeur propre du vecteur en lecture: 157.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 86 Rdmodfacs> Valeur propre du vecteur en lecture: 158.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 87 Rdmodfacs> Valeur propre du vecteur en lecture: 159.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 88 Rdmodfacs> Valeur propre du vecteur en lecture: 162.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 89 Rdmodfacs> Valeur propre du vecteur en lecture: 163.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 90 Rdmodfacs> Valeur propre du vecteur en lecture: 164.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 91 Rdmodfacs> Valeur propre du vecteur en lecture: 167.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 92 Rdmodfacs> Valeur propre du vecteur en lecture: 167.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 93 Rdmodfacs> Valeur propre du vecteur en lecture: 171.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 94 Rdmodfacs> Valeur propre du vecteur en lecture: 171.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 95 Rdmodfacs> Valeur propre du vecteur en lecture: 175.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 96 Rdmodfacs> Valeur propre du vecteur en lecture: 175.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 97 Rdmodfacs> Valeur propre du vecteur en lecture: 176.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 98 Rdmodfacs> Valeur propre du vecteur en lecture: 177.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 99 Rdmodfacs> Valeur propre du vecteur en lecture: 178.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 100 Rdmodfacs> Valeur propre du vecteur en lecture: 179.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 101 Rdmodfacs> Valeur propre du vecteur en lecture: 180.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 102 Rdmodfacs> Valeur propre du vecteur en lecture: 181.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 103 Rdmodfacs> Valeur propre du vecteur en lecture: 185.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 104 Rdmodfacs> Valeur propre du vecteur en lecture: 187.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 105 Rdmodfacs> Valeur propre du vecteur en lecture: 188.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 106 Rdmodfacs> Valeur propre du vecteur en lecture: 189.7 Bfactors> 106 vectors, 6783 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 : 1.962000 Bfactors> 100 eigenvectors will be considered. Bfactors> Rotation-Tranlation modes are skipped. Bfactors> Mass-weighted B-factors are computed. (CHARMM units assumed for eigenvalues) %Bfactors-Wn> Experimental B-factors are nearly constant ! Bfactors> = 0.012 +/- 0.01 Bfactors> = 0.000 +/- 0.00 Bfactors> Shiftng-fct= -0.012 Bfactors> Scaling-fct= 0.000 Bfactors> Predicted, Scaled and Experimental B-factors are saved. Bfactors> Normal end. check_modes Chkmod> Version 1.00, Bordeaux. Getnam> Eigenvector filename ? Getnam> 22071420215265552.eigenfacs Openam> file on opening on unit 10: 22071420215265552.eigenfacs Rdmodfacs> Old Blzpack file format detected. Rdmodfacs> Numero du vecteur CERFACS en lecture: 1 Rdmodfacs> Frequence du vecteur en lecture: 3.4325E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 2 Rdmodfacs> Frequence du vecteur en lecture: 3.4345E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 3 Rdmodfacs> Frequence du vecteur en lecture: 3.4348E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 4 Rdmodfacs> Frequence du vecteur en lecture: 3.4354E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 5 Rdmodfacs> Frequence du vecteur en lecture: 3.4369E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 6 Rdmodfacs> Frequence du vecteur en lecture: 3.4376E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 7 Rdmodfacs> Frequence du vecteur en lecture: 152.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 8 Rdmodfacs> Frequence du vecteur en lecture: 213.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 9 Rdmodfacs> Frequence du vecteur en lecture: 255.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 10 Rdmodfacs> Frequence du vecteur en lecture: 341.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 11 Rdmodfacs> Frequence du vecteur en lecture: 378.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 12 Rdmodfacs> Frequence du vecteur en lecture: 390.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 13 Rdmodfacs> Frequence du vecteur en lecture: 440.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 14 Rdmodfacs> Frequence du vecteur en lecture: 466.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 15 Rdmodfacs> Frequence du vecteur en lecture: 483.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 16 Rdmodfacs> Frequence du vecteur en lecture: 536.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 17 Rdmodfacs> Frequence du vecteur en lecture: 559.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 18 Rdmodfacs> Frequence du vecteur en lecture: 573.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 19 Rdmodfacs> Frequence du vecteur en lecture: 597.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 20 Rdmodfacs> Frequence du vecteur en lecture: 621.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 21 Rdmodfacs> Frequence du vecteur en lecture: 625.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 22 Rdmodfacs> Frequence du vecteur en lecture: 657.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 23 Rdmodfacs> Frequence du vecteur en lecture: 683.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 24 Rdmodfacs> Frequence du vecteur en lecture: 691.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 25 Rdmodfacs> Frequence du vecteur en lecture: 726.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 26 Rdmodfacs> Frequence du vecteur en lecture: 750.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 27 Rdmodfacs> Frequence du vecteur en lecture: 760.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 28 Rdmodfacs> Frequence du vecteur en lecture: 776.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 29 Rdmodfacs> Frequence du vecteur en lecture: 781.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 30 Rdmodfacs> Frequence du vecteur en lecture: 806.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 31 Rdmodfacs> Frequence du vecteur en lecture: 807.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 32 Rdmodfacs> Frequence du vecteur en lecture: 830.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 33 Rdmodfacs> Frequence du vecteur en lecture: 848.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 34 Rdmodfacs> Frequence du vecteur en lecture: 868.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 35 Rdmodfacs> Frequence du vecteur en lecture: 878.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 36 Rdmodfacs> Frequence du vecteur en lecture: 878.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 37 Rdmodfacs> Frequence du vecteur en lecture: 905.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 38 Rdmodfacs> Frequence du vecteur en lecture: 912.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 39 Rdmodfacs> Frequence du vecteur en lecture: 925.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 40 Rdmodfacs> Frequence du vecteur en lecture: 931.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 41 Rdmodfacs> Frequence du vecteur en lecture: 937.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 42 Rdmodfacs> Frequence du vecteur en lecture: 954.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 43 Rdmodfacs> Frequence du vecteur en lecture: 969.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 44 Rdmodfacs> Frequence du vecteur en lecture: 982.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 45 Rdmodfacs> Frequence du vecteur en lecture: 988.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 46 Rdmodfacs> Frequence du vecteur en lecture: 1023. Rdmodfacs> Numero du vecteur CERFACS en lecture: 47 Rdmodfacs> Frequence du vecteur en lecture: 1039. Rdmodfacs> Numero du vecteur CERFACS en lecture: 48 Rdmodfacs> Frequence du vecteur en lecture: 1050. Rdmodfacs> Numero du vecteur CERFACS en lecture: 49 Rdmodfacs> Frequence du vecteur en lecture: 1054. Rdmodfacs> Numero du vecteur CERFACS en lecture: 50 Rdmodfacs> Frequence du vecteur en lecture: 1073. Rdmodfacs> Numero du vecteur CERFACS en lecture: 51 Rdmodfacs> Frequence du vecteur en lecture: 1084. Rdmodfacs> Numero du vecteur CERFACS en lecture: 52 Rdmodfacs> Frequence du vecteur en lecture: 1092. Rdmodfacs> Numero du vecteur CERFACS en lecture: 53 Rdmodfacs> Frequence du vecteur en lecture: 1106. Rdmodfacs> Numero du vecteur CERFACS en lecture: 54 Rdmodfacs> Frequence du vecteur en lecture: 1119. Rdmodfacs> Numero du vecteur CERFACS en lecture: 55 Rdmodfacs> Frequence du vecteur en lecture: 1124. Rdmodfacs> Numero du vecteur CERFACS en lecture: 56 Rdmodfacs> Frequence du vecteur en lecture: 1128. Rdmodfacs> Numero du vecteur CERFACS en lecture: 57 Rdmodfacs> Frequence du vecteur en lecture: 1141. Rdmodfacs> Numero du vecteur CERFACS en lecture: 58 Rdmodfacs> Frequence du vecteur en lecture: 1155. Rdmodfacs> Numero du vecteur CERFACS en lecture: 59 Rdmodfacs> Frequence du vecteur en lecture: 1158. Rdmodfacs> Numero du vecteur CERFACS en lecture: 60 Rdmodfacs> Frequence du vecteur en lecture: 1166. Rdmodfacs> Numero du vecteur CERFACS en lecture: 61 Rdmodfacs> Frequence du vecteur en lecture: 1172. Rdmodfacs> Numero du vecteur CERFACS en lecture: 62 Rdmodfacs> Frequence du vecteur en lecture: 1181. Rdmodfacs> Numero du vecteur CERFACS en lecture: 63 Rdmodfacs> Frequence du vecteur en lecture: 1196. Rdmodfacs> Numero du vecteur CERFACS en lecture: 64 Rdmodfacs> Frequence du vecteur en lecture: 1203. Rdmodfacs> Numero du vecteur CERFACS en lecture: 65 Rdmodfacs> Frequence du vecteur en lecture: 1211. Rdmodfacs> Numero du vecteur CERFACS en lecture: 66 Rdmodfacs> Frequence du vecteur en lecture: 1215. Rdmodfacs> Numero du vecteur CERFACS en lecture: 67 Rdmodfacs> Frequence du vecteur en lecture: 1220. Rdmodfacs> Numero du vecteur CERFACS en lecture: 68 Rdmodfacs> Frequence du vecteur en lecture: 1227. Rdmodfacs> Numero du vecteur CERFACS en lecture: 69 Rdmodfacs> Frequence du vecteur en lecture: 1237. Rdmodfacs> Numero du vecteur CERFACS en lecture: 70 Rdmodfacs> Frequence du vecteur en lecture: 1247. Rdmodfacs> Numero du vecteur CERFACS en lecture: 71 Rdmodfacs> Frequence du vecteur en lecture: 1257. Rdmodfacs> Numero du vecteur CERFACS en lecture: 72 Rdmodfacs> Frequence du vecteur en lecture: 1260. Rdmodfacs> Numero du vecteur CERFACS en lecture: 73 Rdmodfacs> Frequence du vecteur en lecture: 1274. Rdmodfacs> Numero du vecteur CERFACS en lecture: 74 Rdmodfacs> Frequence du vecteur en lecture: 1287. Rdmodfacs> Numero du vecteur CERFACS en lecture: 75 Rdmodfacs> Frequence du vecteur en lecture: 1288. Rdmodfacs> Numero du vecteur CERFACS en lecture: 76 Rdmodfacs> Frequence du vecteur en lecture: 1301. Rdmodfacs> Numero du vecteur CERFACS en lecture: 77 Rdmodfacs> Frequence du vecteur en lecture: 1309. Rdmodfacs> Numero du vecteur CERFACS en lecture: 78 Rdmodfacs> Frequence du vecteur en lecture: 1315. Rdmodfacs> Numero du vecteur CERFACS en lecture: 79 Rdmodfacs> Frequence du vecteur en lecture: 1318. Rdmodfacs> Numero du vecteur CERFACS en lecture: 80 Rdmodfacs> Frequence du vecteur en lecture: 1330. Rdmodfacs> Numero du vecteur CERFACS en lecture: 81 Rdmodfacs> Frequence du vecteur en lecture: 1333. Rdmodfacs> Numero du vecteur CERFACS en lecture: 82 Rdmodfacs> Frequence du vecteur en lecture: 1343. Rdmodfacs> Numero du vecteur CERFACS en lecture: 83 Rdmodfacs> Frequence du vecteur en lecture: 1344. Rdmodfacs> Numero du vecteur CERFACS en lecture: 84 Rdmodfacs> Frequence du vecteur en lecture: 1358. Rdmodfacs> Numero du vecteur CERFACS en lecture: 85 Rdmodfacs> Frequence du vecteur en lecture: 1362. Rdmodfacs> Numero du vecteur CERFACS en lecture: 86 Rdmodfacs> Frequence du vecteur en lecture: 1369. Rdmodfacs> Numero du vecteur CERFACS en lecture: 87 Rdmodfacs> Frequence du vecteur en lecture: 1370. Rdmodfacs> Numero du vecteur CERFACS en lecture: 88 Rdmodfacs> Frequence du vecteur en lecture: 1383. Rdmodfacs> Numero du vecteur CERFACS en lecture: 89 Rdmodfacs> Frequence du vecteur en lecture: 1388. Rdmodfacs> Numero du vecteur CERFACS en lecture: 90 Rdmodfacs> Frequence du vecteur en lecture: 1392. Rdmodfacs> Numero du vecteur CERFACS en lecture: 91 Rdmodfacs> Frequence du vecteur en lecture: 1405. Rdmodfacs> Numero du vecteur CERFACS en lecture: 92 Rdmodfacs> Frequence du vecteur en lecture: 1405. Rdmodfacs> Numero du vecteur CERFACS en lecture: 93 Rdmodfacs> Frequence du vecteur en lecture: 1422. Rdmodfacs> Numero du vecteur CERFACS en lecture: 94 Rdmodfacs> Frequence du vecteur en lecture: 1424. Rdmodfacs> Numero du vecteur CERFACS en lecture: 95 Rdmodfacs> Frequence du vecteur en lecture: 1437. Rdmodfacs> Numero du vecteur CERFACS en lecture: 96 Rdmodfacs> Frequence du vecteur en lecture: 1439. Rdmodfacs> Numero du vecteur CERFACS en lecture: 97 Rdmodfacs> Frequence du vecteur en lecture: 1443. Rdmodfacs> Numero du vecteur CERFACS en lecture: 98 Rdmodfacs> Frequence du vecteur en lecture: 1448. Rdmodfacs> Numero du vecteur CERFACS en lecture: 99 Rdmodfacs> Frequence du vecteur en lecture: 1450. Rdmodfacs> Numero du vecteur CERFACS en lecture: 100 Rdmodfacs> Frequence du vecteur en lecture: 1455. Rdmodfacs> Numero du vecteur CERFACS en lecture: 101 Rdmodfacs> Frequence du vecteur en lecture: 1460. Rdmodfacs> Numero du vecteur CERFACS en lecture: 102 Rdmodfacs> Frequence du vecteur en lecture: 1463. Rdmodfacs> Numero du vecteur CERFACS en lecture: 103 Rdmodfacs> Frequence du vecteur en lecture: 1480. Rdmodfacs> Numero du vecteur CERFACS en lecture: 104 Rdmodfacs> Frequence du vecteur en lecture: 1485. Rdmodfacs> Numero du vecteur CERFACS en lecture: 105 Rdmodfacs> Frequence du vecteur en lecture: 1492. Rdmodfacs> Numero du vecteur CERFACS en lecture: 106 Rdmodfacs> Frequence du vecteur en lecture: 1496. Chkmod> 106 vectors, 6783 coordinates in file. Chkmod> That is: 2261 cartesian points. Openam> file on opening on unit 11: Chkmod.res Chkmod> Collectivity=f(frequency) to be written in this file. %Chkmod-Wn> Norm of vector 10 is: 0.9999 (instead of 1.0000). %Chkmod-Wn> Norm of vector 35 is: 1.0001 (instead of 1.0000). %Chkmod-Wn> Norm of vector 55 is: 1.0001 (instead of 1.0000). Chkmod> Normal end. 0.0034 0.6176 0.0034 0.8098 0.0034 0.7251 0.0034 0.7253 0.0034 0.9662 0.0034 0.6313 152.0989 0.6230 213.6704 0.5664 255.4905 0.6478 341.2975 0.1691 378.0315 0.4469 390.4594 0.3523 440.0107 0.6873 466.6702 0.3786 483.4243 0.2191 536.8182 0.1188 559.9327 0.2185 573.3542 0.2334 597.2269 0.2650 621.3209 0.1929 625.6705 0.2685 657.7343 0.3421 683.1476 0.2097 690.9562 0.3225 726.7201 0.1919 750.8203 0.3051 760.6496 0.2346 776.0721 0.2356 781.1453 0.1460 806.3979 0.3306 807.2748 0.3085 830.7415 0.3450 848.2978 0.1855 868.2184 0.3432 878.1435 0.4256 878.9488 0.3011 905.7068 0.3967 912.8390 0.3621 925.8568 0.4298 931.6334 0.2525 937.1856 0.2711 954.9458 0.3133 969.3454 0.3755 982.2746 0.3353 988.7950 0.2271 1023.4261 0.5951 1038.9200 0.3430 1049.9273 0.3750 1053.7387 0.3989 1072.9223 0.1652 1084.0738 0.6268 1091.8229 0.2864 1106.3061 0.2874 1119.0227 0.2141 1123.7543 0.3929 1127.9435 0.5178 1141.4523 0.5100 1155.3135 0.4204 1157.8622 0.3258 1165.9805 0.4571 1172.0324 0.3589 1180.5527 0.2908 1196.4264 0.4263 1202.8152 0.4259 1210.6321 0.5010 1215.4922 0.2483 1219.8497 0.3497 1226.5972 0.4411 1236.6495 0.2091 1246.6207 0.3061 1256.9819 0.3546 1260.2608 0.3023 1274.2176 0.4263 1286.6493 0.3002 1288.0232 0.4538 1300.7762 0.0914 1309.3593 0.3811 1315.1997 0.5205 1317.8865 0.3408 1329.9100 0.2521 1332.5672 0.3352 1342.7043 0.3109 1344.4595 0.4034 1357.5509 0.2670 1361.8868 0.4437 1368.7956 0.3290 1369.6567 0.3220 1382.9359 0.3930 1388.4668 0.3823 1392.2831 0.3318 1404.9290 0.3734 1405.3485 0.1998 1422.4443 0.3941 1423.6872 0.3134 1436.8774 0.3694 1439.3371 0.3209 1443.4273 0.2762 1447.5059 0.3959 1449.5409 0.1335 1455.2238 0.3638 1460.0773 0.1007 1463.3040 0.3050 1479.7304 0.4282 1485.2978 0.4234 1492.0303 0.3342 1495.5822 0.4063 getting mode 7 running: ../../bin/get_modes.sh 22071420215265552 7 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 7 calculating perturbed structure for DQ=-100 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-80 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-60 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-40 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-20 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=0 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=20 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=40 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=60 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=80 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=100 22071420215265552.eigenfacs 22071420215265552.atom making animated gifs 11 models are in 22071420215265552.7.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 22071420215265552.7.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 22071420215265552.7.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 22071420215265552 8 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 8 calculating perturbed structure for DQ=-100 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-80 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-60 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-40 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-20 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=0 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=20 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=40 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=60 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=80 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=100 22071420215265552.eigenfacs 22071420215265552.atom making animated gifs 11 models are in 22071420215265552.8.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 22071420215265552.8.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 22071420215265552.8.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 22071420215265552 9 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 9 calculating perturbed structure for DQ=-100 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-80 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-60 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-40 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-20 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=0 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=20 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=40 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=60 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=80 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=100 22071420215265552.eigenfacs 22071420215265552.atom making animated gifs 11 models are in 22071420215265552.9.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 22071420215265552.9.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 22071420215265552.9.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 22071420215265552 10 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 10 calculating perturbed structure for DQ=-100 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-80 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-60 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-40 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-20 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=0 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=20 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=40 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=60 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=80 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=100 22071420215265552.eigenfacs 22071420215265552.atom making animated gifs 11 models are in 22071420215265552.10.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 22071420215265552.10.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 22071420215265552.10.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 22071420215265552 11 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 11 calculating perturbed structure for DQ=-100 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-80 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-60 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-40 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-20 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=0 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=20 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=40 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=60 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=80 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=100 22071420215265552.eigenfacs 22071420215265552.atom making animated gifs 11 models are in 22071420215265552.11.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 22071420215265552.11.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 22071420215265552.11.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 22071420215265552 12 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 12 calculating perturbed structure for DQ=-100 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-80 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-60 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-40 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-20 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=0 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=20 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=40 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=60 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=80 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=100 22071420215265552.eigenfacs 22071420215265552.atom making animated gifs 11 models are in 22071420215265552.12.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 22071420215265552.12.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 22071420215265552.12.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 22071420215265552 13 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 13 calculating perturbed structure for DQ=-100 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-80 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-60 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-40 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-20 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=0 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=20 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=40 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=60 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=80 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=100 22071420215265552.eigenfacs 22071420215265552.atom making animated gifs 11 models are in 22071420215265552.13.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 22071420215265552.13.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 22071420215265552.13.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 22071420215265552 14 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 14 calculating perturbed structure for DQ=-100 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-80 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-60 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-40 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-20 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=0 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=20 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=40 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=60 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=80 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=100 22071420215265552.eigenfacs 22071420215265552.atom making animated gifs 11 models are in 22071420215265552.14.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 22071420215265552.14.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 22071420215265552.14.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 22071420215265552 15 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 15 calculating perturbed structure for DQ=-100 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-80 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-60 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-40 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-20 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=0 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=20 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=40 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=60 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=80 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=100 22071420215265552.eigenfacs 22071420215265552.atom making animated gifs 11 models are in 22071420215265552.15.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 22071420215265552.15.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 22071420215265552.15.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 22071420215265552 16 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 16 calculating perturbed structure for DQ=-100 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-80 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-60 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-40 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-20 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=0 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=20 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=40 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=60 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=80 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=100 22071420215265552.eigenfacs 22071420215265552.atom making animated gifs 11 models are in 22071420215265552.16.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 22071420215265552.16.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 22071420215265552.16.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 22071420215265552 17 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 17 calculating perturbed structure for DQ=-100 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-80 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-60 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-40 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-20 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=0 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=20 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=40 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=60 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=80 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=100 22071420215265552.eigenfacs 22071420215265552.atom making animated gifs 11 models are in 22071420215265552.17.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 22071420215265552.17.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 22071420215265552.17.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 22071420215265552 18 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 18 calculating perturbed structure for DQ=-100 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-80 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-60 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-40 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-20 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=0 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=20 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=40 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=60 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=80 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=100 22071420215265552.eigenfacs 22071420215265552.atom making animated gifs 11 models are in 22071420215265552.18.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 22071420215265552.18.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 22071420215265552.18.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 22071420215265552 19 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 19 calculating perturbed structure for DQ=-100 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-80 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-60 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-40 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-20 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=0 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=20 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=40 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=60 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=80 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=100 22071420215265552.eigenfacs 22071420215265552.atom making animated gifs 11 models are in 22071420215265552.19.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 22071420215265552.19.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 22071420215265552.19.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 22071420215265552 20 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 20 calculating perturbed structure for DQ=-100 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-80 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-60 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-40 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-20 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=0 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=20 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=40 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=60 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=80 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=100 22071420215265552.eigenfacs 22071420215265552.atom making animated gifs 11 models are in 22071420215265552.20.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 22071420215265552.20.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 22071420215265552.20.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 22071420215265552 21 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 21 calculating perturbed structure for DQ=-100 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-80 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-60 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-40 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-20 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=0 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=20 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=40 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=60 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=80 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=100 22071420215265552.eigenfacs 22071420215265552.atom making animated gifs 11 models are in 22071420215265552.21.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 22071420215265552.21.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 22071420215265552.21.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 22071420215265552 22 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 22 calculating perturbed structure for DQ=-100 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-80 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-60 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-40 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-20 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=0 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=20 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=40 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=60 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=80 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=100 22071420215265552.eigenfacs 22071420215265552.atom making animated gifs 11 models are in 22071420215265552.22.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 22071420215265552.22.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 22071420215265552.22.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 22071420215265552 23 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 23 calculating perturbed structure for DQ=-100 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-80 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-60 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-40 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-20 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=0 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=20 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=40 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=60 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=80 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=100 22071420215265552.eigenfacs 22071420215265552.atom making animated gifs 11 models are in 22071420215265552.23.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 22071420215265552.23.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 22071420215265552.23.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 22071420215265552 24 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 24 calculating perturbed structure for DQ=-100 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-80 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-60 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-40 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-20 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=0 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=20 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=40 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=60 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=80 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=100 22071420215265552.eigenfacs 22071420215265552.atom making animated gifs 11 models are in 22071420215265552.24.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 22071420215265552.24.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 22071420215265552.24.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 22071420215265552 25 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 25 calculating perturbed structure for DQ=-100 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-80 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-60 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-40 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-20 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=0 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=20 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=40 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=60 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=80 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=100 22071420215265552.eigenfacs 22071420215265552.atom making animated gifs 11 models are in 22071420215265552.25.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 22071420215265552.25.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 22071420215265552.25.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 22071420215265552 26 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 26 calculating perturbed structure for DQ=-100 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-80 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-60 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-40 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-20 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=0 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=20 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=40 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=60 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=80 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=100 22071420215265552.eigenfacs 22071420215265552.atom making animated gifs 11 models are in 22071420215265552.26.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 22071420215265552.26.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 22071420215265552.26.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 22071420215265552 27 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 27 calculating perturbed structure for DQ=-100 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-80 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-60 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-40 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-20 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=0 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=20 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=40 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=60 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=80 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=100 22071420215265552.eigenfacs 22071420215265552.atom making animated gifs 11 models are in 22071420215265552.27.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 22071420215265552.27.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 22071420215265552.27.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 22071420215265552 28 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 28 calculating perturbed structure for DQ=-100 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-80 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-60 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-40 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-20 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=0 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=20 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=40 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=60 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=80 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=100 22071420215265552.eigenfacs 22071420215265552.atom making animated gifs 11 models are in 22071420215265552.28.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 22071420215265552.28.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 22071420215265552.28.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 22071420215265552 29 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 29 calculating perturbed structure for DQ=-100 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-80 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-60 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-40 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-20 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=0 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=20 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=40 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=60 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=80 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=100 22071420215265552.eigenfacs 22071420215265552.atom making animated gifs 11 models are in 22071420215265552.29.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 22071420215265552.29.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 22071420215265552.29.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 22071420215265552 30 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 30 calculating perturbed structure for DQ=-100 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-80 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-60 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-40 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-20 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=0 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=20 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=40 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=60 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=80 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=100 22071420215265552.eigenfacs 22071420215265552.atom making animated gifs 11 models are in 22071420215265552.30.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 22071420215265552.30.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 22071420215265552.30.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 22071420215265552 31 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 31 calculating perturbed structure for DQ=-100 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-80 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-60 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-40 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=-20 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=0 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=20 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=40 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=60 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=80 22071420215265552.eigenfacs 22071420215265552.atom calculating perturbed structure for DQ=100 22071420215265552.eigenfacs 22071420215265552.atom making animated gifs 11 models are in 22071420215265552.31.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 22071420215265552.31.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 22071420215265552.31.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 22071420215265552.10.pdb 22071420215265552.11.pdb 22071420215265552.12.pdb 22071420215265552.13.pdb 22071420215265552.14.pdb 22071420215265552.15.pdb 22071420215265552.16.pdb 22071420215265552.17.pdb 22071420215265552.18.pdb 22071420215265552.19.pdb 22071420215265552.20.pdb 22071420215265552.21.pdb 22071420215265552.22.pdb 22071420215265552.23.pdb 22071420215265552.24.pdb 22071420215265552.25.pdb 22071420215265552.26.pdb 22071420215265552.27.pdb 22071420215265552.28.pdb 22071420215265552.29.pdb 22071420215265552.30.pdb 22071420215265552.31.pdb 22071420215265552.7.pdb 22071420215265552.8.pdb 22071420215265552.9.pdb STDERR: real 0m9.411s user 0m9.360s sys 0m0.032s pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: 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Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw 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elNémo is maintained by Yves-Henri Sanejouand.
It was developed by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: October 18th, 2018.