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***  VIRAL PROTEIN/IMMUNE SYSTEM 27-OCT-20 7KKK  ***

LOGs for ID: 220207192153103069

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 = 220207192153103069.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 220207192153103069.atom to be opened. Openam> File opened: 220207192153103069.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 = 3360 First residue number = 27 Last residue number = 119 Number of atoms found = 51564 Mean number per residue = 15.3 Pdbmat> Coordinate statistics: = 213.503229 +/- 22.476355 From: 152.725000 To: 281.905000 = 213.504325 +/- 22.475880 From: 141.402000 To: 264.679000 = 216.840710 +/- 40.109216 From: 117.562000 To: 296.454000 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 -4.2039 % Filled. Pdbmat> 38676501 non-zero elements. Pdbmat> 4263703 atom-atom interactions. Pdbmat> Number per atom= 165.38 +/- 44.82 Maximum number = 257 Minimum number = 31 Pdbmat> Matrix trace = 8.527406E+07 Pdbmat> Larger element = 906.251 Pdbmat> 0 elements larger than +/- 1.0E+10 Pdbmat> Normal end. automatic determination of NRBL (NRBL = nresidues/200 + 1) 3360 non-zero elements, NRBL set to 17 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 = 220207192153103069.atom Eigenvector OUTPut file = matrix.eigenrtb Nb of VECTors required = 106 EigeNVALues chosen = LOWE Type of SUBStructuring = NONE Nb of residues per BLOck = 17 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 220207192153103069.atom to be opened. Openam> file on opening on unit 11: 220207192153103069.atom Blocpdb> Coordinate file in PDB format. Blocpdb> 51564 atoms picked in pdb file. Blocpdb> All masses set to unity. Blocpdb> Coordinate file is rewritten. Blocpdb> Substructuring: Blocpdb> 17 residue(s) per block. Blocpdb> 3360 residues. Blocpdb> 277 atoms in block 1 Block first atom: 1 Blocpdb> 275 atoms in block 2 Block first atom: 278 Blocpdb> 149 atoms in block 3 Block first atom: 553 Blocpdb> 249 atoms in block 4 Block first atom: 702 Blocpdb> 278 atoms in block 5 Block first atom: 951 Blocpdb> 270 atoms in block 6 Block first atom: 1229 Blocpdb> 195 atoms in block 7 Block first atom: 1499 Blocpdb> 119 atoms in block 8 Block first atom: 1694 Blocpdb> 307 atoms in block 9 Block first atom: 1813 Blocpdb> 279 atoms in block 10 Block first atom: 2120 Blocpdb> 259 atoms in block 11 Block first atom: 2399 Blocpdb> 159 atoms in block 12 Block first atom: 2658 Blocpdb> 295 atoms in block 13 Block first atom: 2817 Blocpdb> 229 atoms in block 14 Block first atom: 3112 Blocpdb> 272 atoms in block 15 Block first atom: 3341 Blocpdb> 280 atoms in block 16 Block first atom: 3613 Blocpdb> 262 atoms in block 17 Block first atom: 3893 Blocpdb> 268 atoms in block 18 Block first atom: 4155 Blocpdb> 259 atoms in block 19 Block first atom: 4423 Blocpdb> 258 atoms in block 20 Block first atom: 4682 Blocpdb> 262 atoms in block 21 Block first atom: 4940 Blocpdb> 256 atoms in block 22 Block first atom: 5202 Blocpdb> 251 atoms in block 23 Block first atom: 5458 Blocpdb> 323 atoms in block 24 Block first atom: 5709 Blocpdb> 231 atoms in block 25 Block first atom: 6032 Blocpdb> 261 atoms in block 26 Block first atom: 6263 Blocpdb> 273 atoms in block 27 Block first atom: 6524 Blocpdb> 249 atoms in block 28 Block first atom: 6797 Blocpdb> 250 atoms in block 29 Block first atom: 7046 Blocpdb> 287 atoms in block 30 Block first atom: 7296 Blocpdb> 260 atoms in block 31 Block first atom: 7583 Blocpdb> 225 atoms in block 32 Block first atom: 7843 Blocpdb> 246 atoms in block 33 Block first atom: 8068 Blocpdb> 16 atoms in block 34 Block first atom: 8314 Blocpdb> 247 atoms in block 35 Block first atom: 8330 Blocpdb> 230 atoms in block 36 Block first atom: 8577 Blocpdb> 31 atoms in block 37 Block first atom: 8807 Blocpdb> 242 atoms in block 38 Block first atom: 8838 Blocpdb> 247 atoms in block 39 Block first atom: 9080 Blocpdb> 252 atoms in block 40 Block first atom: 9327 Blocpdb> 256 atoms in block 41 Block first atom: 9579 Blocpdb> 246 atoms in block 42 Block first atom: 9835 Blocpdb> 291 atoms in block 43 Block first atom: 10081 Blocpdb> 261 atoms in block 44 Block first atom: 10372 Blocpdb> 279 atoms in block 45 Block first atom: 10633 Blocpdb> 52 atoms in block 46 Block first atom: 10912 Blocpdb> 274 atoms in block 47 Block first atom: 10964 Blocpdb> 241 atoms in block 48 Block first atom: 11238 Blocpdb> 245 atoms in block 49 Block first atom: 11479 Blocpdb> 276 atoms in block 50 Block first atom: 11724 Blocpdb> 260 atoms in block 51 Block first atom: 12000 Blocpdb> 240 atoms in block 52 Block first atom: 12260 Blocpdb> 250 atoms in block 53 Block first atom: 12500 Blocpdb> 259 atoms in block 54 Block first atom: 12750 Blocpdb> 283 atoms in block 55 Block first atom: 13009 Blocpdb> 270 atoms in block 56 Block first atom: 13292 Blocpdb> 260 atoms in block 57 Block first atom: 13562 Blocpdb> 249 atoms in block 58 Block first atom: 13822 Blocpdb> 269 atoms in block 59 Block first atom: 14071 Blocpdb> 254 atoms in block 60 Block first atom: 14340 Blocpdb> 264 atoms in block 61 Block first atom: 14594 Blocpdb> 261 atoms in block 62 Block first atom: 14858 Blocpdb> 254 atoms in block 63 Block first atom: 15119 Blocpdb> 71 atoms in block 64 Block first atom: 15373 Blocpdb> 221 atoms in block 65 Block first atom: 15444 Blocpdb> 240 atoms in block 66 Block first atom: 15665 Blocpdb> 278 atoms in block 67 Block first atom: 15905 Blocpdb> 277 atoms in block 68 Block first atom: 16183 Blocpdb> 274 atoms in block 69 Block first atom: 16460 Blocpdb> 237 atoms in block 70 Block first atom: 16734 Blocpdb> 218 atoms in block 71 Block first atom: 16971 Blocpdb> 277 atoms in block 72 Block first atom: 17189 Blocpdb> 275 atoms in block 73 Block first atom: 17466 Blocpdb> 149 atoms in block 74 Block first atom: 17741 Blocpdb> 249 atoms in block 75 Block first atom: 17890 Blocpdb> 278 atoms in block 76 Block first atom: 18139 Blocpdb> 270 atoms in block 77 Block first atom: 18417 Blocpdb> 195 atoms in block 78 Block first atom: 18687 Blocpdb> 119 atoms in block 79 Block first atom: 18882 Blocpdb> 307 atoms in block 80 Block first atom: 19001 Blocpdb> 279 atoms in block 81 Block first atom: 19308 Blocpdb> 259 atoms in block 82 Block first atom: 19587 Blocpdb> 159 atoms in block 83 Block first atom: 19846 Blocpdb> 295 atoms in block 84 Block first atom: 20005 Blocpdb> 229 atoms in block 85 Block first atom: 20300 Blocpdb> 272 atoms in block 86 Block first atom: 20529 Blocpdb> 280 atoms in block 87 Block first atom: 20801 Blocpdb> 262 atoms in block 88 Block first atom: 21081 Blocpdb> 268 atoms in block 89 Block first atom: 21343 Blocpdb> 259 atoms in block 90 Block first atom: 21611 Blocpdb> 258 atoms in block 91 Block first atom: 21870 Blocpdb> 262 atoms in block 92 Block first atom: 22128 Blocpdb> 256 atoms in block 93 Block first atom: 22390 Blocpdb> 251 atoms in block 94 Block first atom: 22646 Blocpdb> 323 atoms in block 95 Block first atom: 22897 Blocpdb> 231 atoms in block 96 Block first atom: 23220 Blocpdb> 261 atoms in block 97 Block first atom: 23451 Blocpdb> 273 atoms in block 98 Block first atom: 23712 Blocpdb> 249 atoms in block 99 Block first atom: 23985 Blocpdb> 250 atoms in block 100 Block first atom: 24234 Blocpdb> 287 atoms in block 101 Block first atom: 24484 Blocpdb> 260 atoms in block 102 Block first atom: 24771 Blocpdb> 225 atoms in block 103 Block first atom: 25031 Blocpdb> 246 atoms in block 104 Block first atom: 25256 Blocpdb> 16 atoms in block 105 Block first atom: 25502 Blocpdb> 247 atoms in block 106 Block first atom: 25518 Blocpdb> 230 atoms in block 107 Block first atom: 25765 Blocpdb> 31 atoms in block 108 Block first atom: 25995 Blocpdb> 242 atoms in block 109 Block first atom: 26026 Blocpdb> 247 atoms in block 110 Block first atom: 26268 Blocpdb> 252 atoms in block 111 Block first atom: 26515 Blocpdb> 256 atoms in block 112 Block first atom: 26767 Blocpdb> 246 atoms in block 113 Block first atom: 27023 Blocpdb> 291 atoms in block 114 Block first atom: 27269 Blocpdb> 261 atoms in block 115 Block first atom: 27560 Blocpdb> 279 atoms in block 116 Block first atom: 27821 Blocpdb> 52 atoms in block 117 Block first atom: 28100 Blocpdb> 274 atoms in block 118 Block first atom: 28152 Blocpdb> 241 atoms in block 119 Block first atom: 28426 Blocpdb> 245 atoms in block 120 Block first atom: 28667 Blocpdb> 276 atoms in block 121 Block first atom: 28912 Blocpdb> 260 atoms in block 122 Block first atom: 29188 Blocpdb> 240 atoms in block 123 Block first atom: 29448 Blocpdb> 250 atoms in block 124 Block first atom: 29688 Blocpdb> 259 atoms in block 125 Block first atom: 29938 Blocpdb> 283 atoms in block 126 Block first atom: 30197 Blocpdb> 270 atoms in block 127 Block first atom: 30480 Blocpdb> 260 atoms in block 128 Block first atom: 30750 Blocpdb> 249 atoms in block 129 Block first atom: 31010 Blocpdb> 269 atoms in block 130 Block first atom: 31259 Blocpdb> 254 atoms in block 131 Block first atom: 31528 Blocpdb> 264 atoms in block 132 Block first atom: 31782 Blocpdb> 261 atoms in block 133 Block first atom: 32046 Blocpdb> 254 atoms in block 134 Block first atom: 32307 Blocpdb> 71 atoms in block 135 Block first atom: 32561 Blocpdb> 221 atoms in block 136 Block first atom: 32632 Blocpdb> 240 atoms in block 137 Block first atom: 32853 Blocpdb> 278 atoms in block 138 Block first atom: 33093 Blocpdb> 277 atoms in block 139 Block first atom: 33371 Blocpdb> 274 atoms in block 140 Block first atom: 33648 Blocpdb> 237 atoms in block 141 Block first atom: 33922 Blocpdb> 218 atoms in block 142 Block first atom: 34159 Blocpdb> 277 atoms in block 143 Block first atom: 34377 Blocpdb> 275 atoms in block 144 Block first atom: 34654 Blocpdb> 149 atoms in block 145 Block first atom: 34929 Blocpdb> 249 atoms in block 146 Block first atom: 35078 Blocpdb> 278 atoms in block 147 Block first atom: 35327 Blocpdb> 270 atoms in block 148 Block first atom: 35605 Blocpdb> 195 atoms in block 149 Block first atom: 35875 Blocpdb> 119 atoms in block 150 Block first atom: 36070 Blocpdb> 307 atoms in block 151 Block first atom: 36189 Blocpdb> 279 atoms in block 152 Block first atom: 36496 Blocpdb> 259 atoms in block 153 Block first atom: 36775 Blocpdb> 159 atoms in block 154 Block first atom: 37034 Blocpdb> 295 atoms in block 155 Block first atom: 37193 Blocpdb> 229 atoms in block 156 Block first atom: 37488 Blocpdb> 272 atoms in block 157 Block first atom: 37717 Blocpdb> 280 atoms in block 158 Block first atom: 37989 Blocpdb> 262 atoms in block 159 Block first atom: 38269 Blocpdb> 268 atoms in block 160 Block first atom: 38531 Blocpdb> 259 atoms in block 161 Block first atom: 38799 Blocpdb> 258 atoms in block 162 Block first atom: 39058 Blocpdb> 262 atoms in block 163 Block first atom: 39316 Blocpdb> 256 atoms in block 164 Block first atom: 39578 Blocpdb> 251 atoms in block 165 Block first atom: 39834 Blocpdb> 323 atoms in block 166 Block first atom: 40085 Blocpdb> 231 atoms in block 167 Block first atom: 40408 Blocpdb> 261 atoms in block 168 Block first atom: 40639 Blocpdb> 273 atoms in block 169 Block first atom: 40900 Blocpdb> 249 atoms in block 170 Block first atom: 41173 Blocpdb> 250 atoms in block 171 Block first atom: 41422 Blocpdb> 287 atoms in block 172 Block first atom: 41672 Blocpdb> 260 atoms in block 173 Block first atom: 41959 Blocpdb> 225 atoms in block 174 Block first atom: 42219 Blocpdb> 246 atoms in block 175 Block first atom: 42444 Blocpdb> 16 atoms in block 176 Block first atom: 42690 Blocpdb> 247 atoms in block 177 Block first atom: 42706 Blocpdb> 230 atoms in block 178 Block first atom: 42953 Blocpdb> 31 atoms in block 179 Block first atom: 43183 Blocpdb> 242 atoms in block 180 Block first atom: 43214 Blocpdb> 247 atoms in block 181 Block first atom: 43456 Blocpdb> 252 atoms in block 182 Block first atom: 43703 Blocpdb> 256 atoms in block 183 Block first atom: 43955 Blocpdb> 246 atoms in block 184 Block first atom: 44211 Blocpdb> 291 atoms in block 185 Block first atom: 44457 Blocpdb> 261 atoms in block 186 Block first atom: 44748 Blocpdb> 279 atoms in block 187 Block first atom: 45009 Blocpdb> 52 atoms in block 188 Block first atom: 45288 Blocpdb> 274 atoms in block 189 Block first atom: 45340 Blocpdb> 241 atoms in block 190 Block first atom: 45614 Blocpdb> 245 atoms in block 191 Block first atom: 45855 Blocpdb> 276 atoms in block 192 Block first atom: 46100 Blocpdb> 260 atoms in block 193 Block first atom: 46376 Blocpdb> 240 atoms in block 194 Block first atom: 46636 Blocpdb> 250 atoms in block 195 Block first atom: 46876 Blocpdb> 259 atoms in block 196 Block first atom: 47126 Blocpdb> 283 atoms in block 197 Block first atom: 47385 Blocpdb> 270 atoms in block 198 Block first atom: 47668 Blocpdb> 260 atoms in block 199 Block first atom: 47938 Blocpdb> 249 atoms in block 200 Block first atom: 48198 Blocpdb> 269 atoms in block 201 Block first atom: 48447 Blocpdb> 254 atoms in block 202 Block first atom: 48716 Blocpdb> 264 atoms in block 203 Block first atom: 48970 Blocpdb> 261 atoms in block 204 Block first atom: 49234 Blocpdb> 254 atoms in block 205 Block first atom: 49495 Blocpdb> 71 atoms in block 206 Block first atom: 49749 Blocpdb> 221 atoms in block 207 Block first atom: 49820 Blocpdb> 240 atoms in block 208 Block first atom: 50041 Blocpdb> 278 atoms in block 209 Block first atom: 50281 Blocpdb> 277 atoms in block 210 Block first atom: 50559 Blocpdb> 274 atoms in block 211 Block first atom: 50836 Blocpdb> 237 atoms in block 212 Block first atom: 51110 Blocpdb> 218 atoms in block 213 Block first atom: 51346 Blocpdb> 213 blocks. Blocpdb> At most, 323 atoms in each of them. Blocpdb> At least, 16 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: 150835510 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 0m0.257s user 0m0.256s sys 0m0.000s




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