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***  VIRAL PROTEIN/IMMUNE SYSTEM 27-SEP-20 7K90  ***

LOGs for ID: 21080306390694653

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 = 21080306390694653.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 21080306390694653.atom to be opened. Openam> File opened: 21080306390694653.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 = 3645 First residue number = 27 Last residue number = 107 Number of atoms found = 28401 Mean number per residue = 7.8 Pdbmat> Coordinate statistics: = 187.929161 +/- 23.053721 From: 120.938000 To: 239.394000 = 187.926647 +/- 23.051407 From: 127.993000 To: 246.955000 = 196.596116 +/- 42.781514 From: 116.102000 To: 300.539000 Pdbmat> Masses are all set to one. Openam> File opened: pdbmat.xyzm Pdbmat> Coordinates and masses considered are saved. Openam> File opened: pdbmat.sdijb Pdbmat> Matrix statistics: Pdbmat> The matrix is -1.6179 % Filled. Pdbmat> 10761698 non-zero elements. Pdbmat> 1177003 atom-atom interactions. Pdbmat> Number per atom= 82.88 +/- 21.49 Maximum number = 128 Minimum number = 14 Pdbmat> Matrix trace = 2.354006E+07 Pdbmat> Larger element = 507.490 Pdbmat> 0 elements larger than +/- 1.0E+10 Pdbmat> Normal end. automatic determination of NRBL (NRBL = nresidues/200 + 1) 3645 non-zero elements, NRBL set to 19 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 = 21080306390694653.atom Eigenvector OUTPut file = matrix.eigenrtb Nb of VECTors required = 106 EigeNVALues chosen = LOWE Type of SUBStructuring = NONE Nb of residues per BLOck = 19 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 21080306390694653.atom to be opened. Openam> file on opening on unit 11: 21080306390694653.atom Blocpdb> Coordinate file in PDB format. Blocpdb> 28401 atoms picked in pdb file. Blocpdb> All masses set to unity. Blocpdb> Coordinate file is rewritten. Blocpdb> Substructuring: Blocpdb> 19 residue(s) per block. Blocpdb> 3645 residues. Blocpdb> 161 atoms in block 1 Block first atom: 1 Blocpdb> 158 atoms in block 2 Block first atom: 162 Blocpdb> 21 atoms in block 3 Block first atom: 320 Blocpdb> 145 atoms in block 4 Block first atom: 341 Blocpdb> 141 atoms in block 5 Block first atom: 486 Blocpdb> 143 atoms in block 6 Block first atom: 627 Blocpdb> 25 atoms in block 7 Block first atom: 770 Blocpdb> 136 atoms in block 8 Block first atom: 795 Blocpdb> 26 atoms in block 9 Block first atom: 931 Blocpdb> 158 atoms in block 10 Block first atom: 957 Blocpdb> 33 atoms in block 11 Block first atom: 1115 Blocpdb> 140 atoms in block 12 Block first atom: 1148 Blocpdb> 61 atoms in block 13 Block first atom: 1288 Blocpdb> 160 atoms in block 14 Block first atom: 1349 Blocpdb> 135 atoms in block 15 Block first atom: 1509 Blocpdb> 155 atoms in block 16 Block first atom: 1644 Blocpdb> 147 atoms in block 17 Block first atom: 1799 Blocpdb> 149 atoms in block 18 Block first atom: 1946 Blocpdb> 135 atoms in block 19 Block first atom: 2095 Blocpdb> 149 atoms in block 20 Block first atom: 2230 Blocpdb> 124 atoms in block 21 Block first atom: 2379 Blocpdb> 135 atoms in block 22 Block first atom: 2503 Blocpdb> 148 atoms in block 23 Block first atom: 2638 Blocpdb> 169 atoms in block 24 Block first atom: 2786 Blocpdb> 144 atoms in block 25 Block first atom: 2955 Blocpdb> 88 atoms in block 26 Block first atom: 3099 Blocpdb> 139 atoms in block 27 Block first atom: 3187 Blocpdb> 137 atoms in block 28 Block first atom: 3326 Blocpdb> 146 atoms in block 29 Block first atom: 3463 Blocpdb> 152 atoms in block 30 Block first atom: 3609 Blocpdb> 137 atoms in block 31 Block first atom: 3761 Blocpdb> 142 atoms in block 32 Block first atom: 3898 Blocpdb> 29 atoms in block 33 Block first atom: 4040 Blocpdb> 136 atoms in block 34 Block first atom: 4069 Blocpdb> 112 atoms in block 35 Block first atom: 4205 Blocpdb> 134 atoms in block 36 Block first atom: 4317 Blocpdb> 141 atoms in block 37 Block first atom: 4451 Blocpdb> 144 atoms in block 38 Block first atom: 4592 Blocpdb> 142 atoms in block 39 Block first atom: 4736 Blocpdb> 146 atoms in block 40 Block first atom: 4878 Blocpdb> 155 atoms in block 41 Block first atom: 5024 Blocpdb> 150 atoms in block 42 Block first atom: 5179 Blocpdb> 74 atoms in block 43 Block first atom: 5329 Blocpdb> 146 atoms in block 44 Block first atom: 5403 Blocpdb> 137 atoms in block 45 Block first atom: 5549 Blocpdb> 150 atoms in block 46 Block first atom: 5686 Blocpdb> 154 atoms in block 47 Block first atom: 5836 Blocpdb> 129 atoms in block 48 Block first atom: 5990 Blocpdb> 147 atoms in block 49 Block first atom: 6119 Blocpdb> 140 atoms in block 50 Block first atom: 6266 Blocpdb> 149 atoms in block 51 Block first atom: 6406 Blocpdb> 149 atoms in block 52 Block first atom: 6555 Blocpdb> 143 atoms in block 53 Block first atom: 6704 Blocpdb> 140 atoms in block 54 Block first atom: 6847 Blocpdb> 151 atoms in block 55 Block first atom: 6987 Blocpdb> 145 atoms in block 56 Block first atom: 7138 Blocpdb> 170 atoms in block 57 Block first atom: 7283 Blocpdb> 136 atoms in block 58 Block first atom: 7453 Blocpdb> 76 atoms in block 59 Block first atom: 7589 Blocpdb> 161 atoms in block 60 Block first atom: 7665 Blocpdb> 158 atoms in block 61 Block first atom: 7826 Blocpdb> 21 atoms in block 62 Block first atom: 7984 Blocpdb> 145 atoms in block 63 Block first atom: 8005 Blocpdb> 141 atoms in block 64 Block first atom: 8150 Blocpdb> 143 atoms in block 65 Block first atom: 8291 Blocpdb> 25 atoms in block 66 Block first atom: 8434 Blocpdb> 136 atoms in block 67 Block first atom: 8459 Blocpdb> 26 atoms in block 68 Block first atom: 8595 Blocpdb> 158 atoms in block 69 Block first atom: 8621 Blocpdb> 33 atoms in block 70 Block first atom: 8779 Blocpdb> 140 atoms in block 71 Block first atom: 8812 Blocpdb> 61 atoms in block 72 Block first atom: 8952 Blocpdb> 160 atoms in block 73 Block first atom: 9013 Blocpdb> 135 atoms in block 74 Block first atom: 9173 Blocpdb> 155 atoms in block 75 Block first atom: 9308 Blocpdb> 147 atoms in block 76 Block first atom: 9463 Blocpdb> 149 atoms in block 77 Block first atom: 9610 Blocpdb> 135 atoms in block 78 Block first atom: 9759 Blocpdb> 149 atoms in block 79 Block first atom: 9894 Blocpdb> 124 atoms in block 80 Block first atom: 10043 Blocpdb> 135 atoms in block 81 Block first atom: 10167 Blocpdb> 148 atoms in block 82 Block first atom: 10302 Blocpdb> 169 atoms in block 83 Block first atom: 10450 Blocpdb> 144 atoms in block 84 Block first atom: 10619 Blocpdb> 88 atoms in block 85 Block first atom: 10763 Blocpdb> 139 atoms in block 86 Block first atom: 10851 Blocpdb> 137 atoms in block 87 Block first atom: 10990 Blocpdb> 146 atoms in block 88 Block first atom: 11127 Blocpdb> 152 atoms in block 89 Block first atom: 11273 Blocpdb> 137 atoms in block 90 Block first atom: 11425 Blocpdb> 142 atoms in block 91 Block first atom: 11562 Blocpdb> 29 atoms in block 92 Block first atom: 11704 Blocpdb> 136 atoms in block 93 Block first atom: 11733 Blocpdb> 112 atoms in block 94 Block first atom: 11869 Blocpdb> 134 atoms in block 95 Block first atom: 11981 Blocpdb> 141 atoms in block 96 Block first atom: 12115 Blocpdb> 144 atoms in block 97 Block first atom: 12256 Blocpdb> 142 atoms in block 98 Block first atom: 12400 Blocpdb> 146 atoms in block 99 Block first atom: 12542 Blocpdb> 155 atoms in block 100 Block first atom: 12688 Blocpdb> 150 atoms in block 101 Block first atom: 12843 Blocpdb> 74 atoms in block 102 Block first atom: 12993 Blocpdb> 146 atoms in block 103 Block first atom: 13067 Blocpdb> 137 atoms in block 104 Block first atom: 13213 Blocpdb> 150 atoms in block 105 Block first atom: 13350 Blocpdb> 154 atoms in block 106 Block first atom: 13500 Blocpdb> 129 atoms in block 107 Block first atom: 13654 Blocpdb> 147 atoms in block 108 Block first atom: 13783 Blocpdb> 140 atoms in block 109 Block first atom: 13930 Blocpdb> 149 atoms in block 110 Block first atom: 14070 Blocpdb> 149 atoms in block 111 Block first atom: 14219 Blocpdb> 143 atoms in block 112 Block first atom: 14368 Blocpdb> 140 atoms in block 113 Block first atom: 14511 Blocpdb> 151 atoms in block 114 Block first atom: 14651 Blocpdb> 145 atoms in block 115 Block first atom: 14802 Blocpdb> 170 atoms in block 116 Block first atom: 14947 Blocpdb> 136 atoms in block 117 Block first atom: 15117 Blocpdb> 76 atoms in block 118 Block first atom: 15253 Blocpdb> 161 atoms in block 119 Block first atom: 15329 Blocpdb> 158 atoms in block 120 Block first atom: 15490 Blocpdb> 21 atoms in block 121 Block first atom: 15648 Blocpdb> 145 atoms in block 122 Block first atom: 15669 Blocpdb> 141 atoms in block 123 Block first atom: 15814 Blocpdb> 143 atoms in block 124 Block first atom: 15955 Blocpdb> 25 atoms in block 125 Block first atom: 16098 Blocpdb> 136 atoms in block 126 Block first atom: 16123 Blocpdb> 26 atoms in block 127 Block first atom: 16259 Blocpdb> 158 atoms in block 128 Block first atom: 16285 Blocpdb> 33 atoms in block 129 Block first atom: 16443 Blocpdb> 140 atoms in block 130 Block first atom: 16476 Blocpdb> 61 atoms in block 131 Block first atom: 16616 Blocpdb> 160 atoms in block 132 Block first atom: 16677 Blocpdb> 135 atoms in block 133 Block first atom: 16837 Blocpdb> 155 atoms in block 134 Block first atom: 16972 Blocpdb> 147 atoms in block 135 Block first atom: 17127 Blocpdb> 149 atoms in block 136 Block first atom: 17274 Blocpdb> 135 atoms in block 137 Block first atom: 17423 Blocpdb> 149 atoms in block 138 Block first atom: 17558 Blocpdb> 124 atoms in block 139 Block first atom: 17707 Blocpdb> 135 atoms in block 140 Block first atom: 17831 Blocpdb> 148 atoms in block 141 Block first atom: 17966 Blocpdb> 169 atoms in block 142 Block first atom: 18114 Blocpdb> 144 atoms in block 143 Block first atom: 18283 Blocpdb> 88 atoms in block 144 Block first atom: 18427 Blocpdb> 139 atoms in block 145 Block first atom: 18515 Blocpdb> 137 atoms in block 146 Block first atom: 18654 Blocpdb> 146 atoms in block 147 Block first atom: 18791 Blocpdb> 152 atoms in block 148 Block first atom: 18937 Blocpdb> 137 atoms in block 149 Block first atom: 19089 Blocpdb> 142 atoms in block 150 Block first atom: 19226 Blocpdb> 29 atoms in block 151 Block first atom: 19368 Blocpdb> 136 atoms in block 152 Block first atom: 19397 Blocpdb> 112 atoms in block 153 Block first atom: 19533 Blocpdb> 134 atoms in block 154 Block first atom: 19645 Blocpdb> 141 atoms in block 155 Block first atom: 19779 Blocpdb> 144 atoms in block 156 Block first atom: 19920 Blocpdb> 142 atoms in block 157 Block first atom: 20064 Blocpdb> 146 atoms in block 158 Block first atom: 20206 Blocpdb> 155 atoms in block 159 Block first atom: 20352 Blocpdb> 150 atoms in block 160 Block first atom: 20507 Blocpdb> 74 atoms in block 161 Block first atom: 20657 Blocpdb> 146 atoms in block 162 Block first atom: 20731 Blocpdb> 137 atoms in block 163 Block first atom: 20877 Blocpdb> 150 atoms in block 164 Block first atom: 21014 Blocpdb> 154 atoms in block 165 Block first atom: 21164 Blocpdb> 129 atoms in block 166 Block first atom: 21318 Blocpdb> 147 atoms in block 167 Block first atom: 21447 Blocpdb> 140 atoms in block 168 Block first atom: 21594 Blocpdb> 149 atoms in block 169 Block first atom: 21734 Blocpdb> 149 atoms in block 170 Block first atom: 21883 Blocpdb> 143 atoms in block 171 Block first atom: 22032 Blocpdb> 140 atoms in block 172 Block first atom: 22175 Blocpdb> 151 atoms in block 173 Block first atom: 22315 Blocpdb> 145 atoms in block 174 Block first atom: 22466 Blocpdb> 170 atoms in block 175 Block first atom: 22611 Blocpdb> 136 atoms in block 176 Block first atom: 22781 Blocpdb> 76 atoms in block 177 Block first atom: 22917 Blocpdb> 131 atoms in block 178 Block first atom: 22993 Blocpdb> 146 atoms in block 179 Block first atom: 23124 Blocpdb> 139 atoms in block 180 Block first atom: 23270 Blocpdb> 152 atoms in block 181 Block first atom: 23409 Blocpdb> 117 atoms in block 182 Block first atom: 23561 Blocpdb> 293 atoms in block 183 Block first atom: 23678 Blocpdb> 35 atoms in block 184 Block first atom: 23971 Blocpdb> 131 atoms in block 185 Block first atom: 24006 Blocpdb> 146 atoms in block 186 Block first atom: 24137 Blocpdb> 139 atoms in block 187 Block first atom: 24283 Blocpdb> 152 atoms in block 188 Block first atom: 24422 Blocpdb> 117 atoms in block 189 Block first atom: 24574 Blocpdb> 293 atoms in block 190 Block first atom: 24691 Blocpdb> 35 atoms in block 191 Block first atom: 24984 Blocpdb> 131 atoms in block 192 Block first atom: 25019 Blocpdb> 146 atoms in block 193 Block first atom: 25150 Blocpdb> 139 atoms in block 194 Block first atom: 25296 Blocpdb> 152 atoms in block 195 Block first atom: 25435 Blocpdb> 117 atoms in block 196 Block first atom: 25587 Blocpdb> 293 atoms in block 197 Block first atom: 25704 Blocpdb> 35 atoms in block 198 Block first atom: 25997 Blocpdb> 47 atoms in block 199 Block first atom: 26032 Blocpdb> 137 atoms in block 200 Block first atom: 26079 Blocpdb> 164 atoms in block 201 Block first atom: 26216 Blocpdb> 143 atoms in block 202 Block first atom: 26380 Blocpdb> 136 atoms in block 203 Block first atom: 26523 Blocpdb> 148 atoms in block 204 Block first atom: 26659 Blocpdb> 15 atoms in block 205 Block first atom: 26807 Blocpdb> 47 atoms in block 206 Block first atom: 26822 Blocpdb> 137 atoms in block 207 Block first atom: 26869 Blocpdb> 164 atoms in block 208 Block first atom: 27006 Blocpdb> 143 atoms in block 209 Block first atom: 27170 Blocpdb> 136 atoms in block 210 Block first atom: 27313 Blocpdb> 148 atoms in block 211 Block first atom: 27449 Blocpdb> 15 atoms in block 212 Block first atom: 27597 Blocpdb> 47 atoms in block 213 Block first atom: 27612 Blocpdb> 137 atoms in block 214 Block first atom: 27659 Blocpdb> 164 atoms in block 215 Block first atom: 27796 Blocpdb> 143 atoms in block 216 Block first atom: 27960 Blocpdb> 136 atoms in block 217 Block first atom: 28103 Blocpdb> 148 atoms in block 218 Block first atom: 28239 Blocpdb> 15 atoms in block 219 Block first atom: 28386 Blocpdb> 219 blocks. Blocpdb> At most, 293 atoms in each of them. Blocpdb> At least, 15 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. %Diagrtb-Er> IRWKMX up to: 75666079 Maximum allowed is LRWORK= 32000000 %Diagrtb-Er> Not enough memory allowed for working arrays. Sorry. Lower the number of blocks, the sizes of the largest ones... Or recompile DIAGRTB with larger WORKing arrays. STDERR: STOP *Working arrays allocation error* real 0m1.457s user 0m0.180s sys 0m0.000s




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Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: October 18th, 2018.