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***  MEMBRANE PROTEIN 30-OCT-18 6IOK  ***

LOGs for ID: 210205134402101722

output from eigenvector calculation:


STDOUT:
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 = 210205134402101722.atom Pdbmat> Distance cutoff = 13.00 Force constant = 10.00 Origin of mass values = CONS Pdbmat> Levelshift = 1.0E-09 PRINTing level = 2 Pdbmat> Coordinate file 210205134402101722.atom to be opened. Openam> File opened: 210205134402101722.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 = 6441 First residue number = 12 Last residue number = 1030 Number of atoms found = 49014 Mean number per residue = 7.6 Pdbmat> Coordinate statistics: = 175.104828 +/- 22.499890 From: 111.660000 To: 241.065000 = 174.930455 +/- 22.593269 From: 114.112000 To: 232.661000 = 214.394472 +/- 81.807284 From: 8.758000 To: 341.902000 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 90.7331 % Filled. Pdbmat> 66534727 non-zero elements. Pdbmat> 7360832 atom-atom interactions. Pdbmat> Number per atom= 300.36 +/- 73.46 Maximum number = 475 Minimum number = 35 Pdbmat> Matrix trace = 1.472166E+08 Pdbmat> Larger element = 1687.89 Pdbmat> 0 elements larger than +/- 1.0E+10 Pdbmat> Normal end. automatic determination of NRBL (NRBL = nresidues/200 + 1) 6441 non-zero elements, NRBL set to 33 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 = 210205134402101722.atom Eigenvector OUTPut file = matrix.eigenrtb Nb of VECTors required = 106 EigeNVALues chosen = LOWE Type of SUBStructuring = NONE Nb of residues per BLOck = 33 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 210205134402101722.atom to be opened. Openam> file on opening on unit 11: 210205134402101722.atom Blocpdb> Coordinate file in PDB format. Blocpdb> 49014 atoms picked in pdb file. Blocpdb> All masses set to unity. Blocpdb> Coordinate file is rewritten. Blocpdb> Substructuring: Blocpdb> 33 residue(s) per block. Blocpdb> 6441 residues. Blocpdb> 252 atoms in block 1 Block first atom: 1 Blocpdb> 261 atoms in block 2 Block first atom: 253 Blocpdb> 256 atoms in block 3 Block first atom: 514 Blocpdb> 252 atoms in block 4 Block first atom: 770 Blocpdb> 241 atoms in block 5 Block first atom: 1022 Blocpdb> 248 atoms in block 6 Block first atom: 1263 Blocpdb> 252 atoms in block 7 Block first atom: 1511 Blocpdb> 250 atoms in block 8 Block first atom: 1763 Blocpdb> 253 atoms in block 9 Block first atom: 2013 Blocpdb> 240 atoms in block 10 Block first atom: 2266 Blocpdb> 250 atoms in block 11 Block first atom: 2506 Blocpdb> 263 atoms in block 12 Block first atom: 2756 Blocpdb> 256 atoms in block 13 Block first atom: 3019 Blocpdb> 257 atoms in block 14 Block first atom: 3275 Blocpdb> 237 atoms in block 15 Block first atom: 3532 Blocpdb> 247 atoms in block 16 Block first atom: 3769 Blocpdb> 250 atoms in block 17 Block first atom: 4016 Blocpdb> 254 atoms in block 18 Block first atom: 4266 Blocpdb> 251 atoms in block 19 Block first atom: 4520 Blocpdb> 249 atoms in block 20 Block first atom: 4771 Blocpdb> 24 atoms in block 21 Block first atom: 5020 Blocpdb> 252 atoms in block 22 Block first atom: 5044 Blocpdb> 261 atoms in block 23 Block first atom: 5296 Blocpdb> 256 atoms in block 24 Block first atom: 5557 Blocpdb> 252 atoms in block 25 Block first atom: 5813 Blocpdb> 241 atoms in block 26 Block first atom: 6065 Blocpdb> 248 atoms in block 27 Block first atom: 6306 Blocpdb> 252 atoms in block 28 Block first atom: 6554 Blocpdb> 250 atoms in block 29 Block first atom: 6806 Blocpdb> 253 atoms in block 30 Block first atom: 7056 Blocpdb> 245 atoms in block 31 Block first atom: 7309 Blocpdb> 8 atoms in block 32 Block first atom: 7554 Blocpdb> 250 atoms in block 33 Block first atom: 7562 Blocpdb> 263 atoms in block 34 Block first atom: 7812 Blocpdb> 256 atoms in block 35 Block first atom: 8075 Blocpdb> 257 atoms in block 36 Block first atom: 8331 Blocpdb> 237 atoms in block 37 Block first atom: 8588 Blocpdb> 247 atoms in block 38 Block first atom: 8825 Blocpdb> 250 atoms in block 39 Block first atom: 9072 Blocpdb> 254 atoms in block 40 Block first atom: 9322 Blocpdb> 251 atoms in block 41 Block first atom: 9576 Blocpdb> 249 atoms in block 42 Block first atom: 9827 Blocpdb> 29 atoms in block 43 Block first atom: 10076 Blocpdb> 252 atoms in block 44 Block first atom: 10105 Blocpdb> 261 atoms in block 45 Block first atom: 10357 Blocpdb> 256 atoms in block 46 Block first atom: 10618 Blocpdb> 252 atoms in block 47 Block first atom: 10874 Blocpdb> 241 atoms in block 48 Block first atom: 11126 Blocpdb> 248 atoms in block 49 Block first atom: 11367 Blocpdb> 252 atoms in block 50 Block first atom: 11615 Blocpdb> 250 atoms in block 51 Block first atom: 11867 Blocpdb> 253 atoms in block 52 Block first atom: 12117 Blocpdb> 249 atoms in block 53 Block first atom: 12370 Blocpdb> 8 atoms in block 54 Block first atom: 12619 Blocpdb> 250 atoms in block 55 Block first atom: 12627 Blocpdb> 263 atoms in block 56 Block first atom: 12877 Blocpdb> 256 atoms in block 57 Block first atom: 13140 Blocpdb> 257 atoms in block 58 Block first atom: 13396 Blocpdb> 237 atoms in block 59 Block first atom: 13653 Blocpdb> 247 atoms in block 60 Block first atom: 13890 Blocpdb> 250 atoms in block 61 Block first atom: 14137 Blocpdb> 254 atoms in block 62 Block first atom: 14387 Blocpdb> 251 atoms in block 63 Block first atom: 14641 Blocpdb> 248 atoms in block 64 Block first atom: 14892 Blocpdb> 29 atoms in block 65 Block first atom: 15140 Blocpdb> 237 atoms in block 66 Block first atom: 15169 Blocpdb> 269 atoms in block 67 Block first atom: 15406 Blocpdb> 266 atoms in block 68 Block first atom: 15675 Blocpdb> 240 atoms in block 69 Block first atom: 15941 Blocpdb> 255 atoms in block 70 Block first atom: 16181 Blocpdb> 266 atoms in block 71 Block first atom: 16436 Blocpdb> 243 atoms in block 72 Block first atom: 16702 Blocpdb> 229 atoms in block 73 Block first atom: 16945 Blocpdb> 251 atoms in block 74 Block first atom: 17174 Blocpdb> 238 atoms in block 75 Block first atom: 17425 Blocpdb> 259 atoms in block 76 Block first atom: 17663 Blocpdb> 255 atoms in block 77 Block first atom: 17922 Blocpdb> 275 atoms in block 78 Block first atom: 18177 Blocpdb> 203 atoms in block 79 Block first atom: 18452 Blocpdb> 237 atoms in block 80 Block first atom: 18655 Blocpdb> 269 atoms in block 81 Block first atom: 18892 Blocpdb> 266 atoms in block 82 Block first atom: 19161 Blocpdb> 240 atoms in block 83 Block first atom: 19427 Blocpdb> 255 atoms in block 84 Block first atom: 19667 Blocpdb> 266 atoms in block 85 Block first atom: 19922 Blocpdb> 243 atoms in block 86 Block first atom: 20188 Blocpdb> 229 atoms in block 87 Block first atom: 20431 Blocpdb> 251 atoms in block 88 Block first atom: 20660 Blocpdb> 238 atoms in block 89 Block first atom: 20911 Blocpdb> 259 atoms in block 90 Block first atom: 21149 Blocpdb> 255 atoms in block 91 Block first atom: 21408 Blocpdb> 275 atoms in block 92 Block first atom: 21663 Blocpdb> 203 atoms in block 93 Block first atom: 21938 Blocpdb> 237 atoms in block 94 Block first atom: 22141 Blocpdb> 269 atoms in block 95 Block first atom: 22378 Blocpdb> 266 atoms in block 96 Block first atom: 22647 Blocpdb> 240 atoms in block 97 Block first atom: 22913 Blocpdb> 255 atoms in block 98 Block first atom: 23153 Blocpdb> 266 atoms in block 99 Block first atom: 23408 Blocpdb> 243 atoms in block 100 Block first atom: 23674 Blocpdb> 229 atoms in block 101 Block first atom: 23917 Blocpdb> 251 atoms in block 102 Block first atom: 24146 Blocpdb> 238 atoms in block 103 Block first atom: 24397 Blocpdb> 259 atoms in block 104 Block first atom: 24635 Blocpdb> 255 atoms in block 105 Block first atom: 24894 Blocpdb> 275 atoms in block 106 Block first atom: 25149 Blocpdb> 203 atoms in block 107 Block first atom: 25424 Blocpdb> 255 atoms in block 108 Block first atom: 25627 Blocpdb> 240 atoms in block 109 Block first atom: 25882 Blocpdb> 252 atoms in block 110 Block first atom: 26122 Blocpdb> 258 atoms in block 111 Block first atom: 26374 Blocpdb> 250 atoms in block 112 Block first atom: 26632 Blocpdb> 268 atoms in block 113 Block first atom: 26882 Blocpdb> 228 atoms in block 114 Block first atom: 27150 Blocpdb> 259 atoms in block 115 Block first atom: 27378 Blocpdb> 222 atoms in block 116 Block first atom: 27637 Blocpdb> 258 atoms in block 117 Block first atom: 27859 Blocpdb> 264 atoms in block 118 Block first atom: 28117 Blocpdb> 239 atoms in block 119 Block first atom: 28381 Blocpdb> 244 atoms in block 120 Block first atom: 28620 Blocpdb> 231 atoms in block 121 Block first atom: 28864 Blocpdb> 239 atoms in block 122 Block first atom: 29095 Blocpdb> 32 atoms in block 123 Block first atom: 29334 Blocpdb> 271 atoms in block 124 Block first atom: 29366 Blocpdb> 263 atoms in block 125 Block first atom: 29637 Blocpdb> 257 atoms in block 126 Block first atom: 29900 Blocpdb> 254 atoms in block 127 Block first atom: 30157 Blocpdb> 258 atoms in block 128 Block first atom: 30411 Blocpdb> 255 atoms in block 129 Block first atom: 30669 Blocpdb> 258 atoms in block 130 Block first atom: 30924 Blocpdb> 251 atoms in block 131 Block first atom: 31182 Blocpdb> 272 atoms in block 132 Block first atom: 31433 Blocpdb> 251 atoms in block 133 Block first atom: 31705 Blocpdb> 250 atoms in block 134 Block first atom: 31956 Blocpdb> 250 atoms in block 135 Block first atom: 32206 Blocpdb> 239 atoms in block 136 Block first atom: 32456 Blocpdb> 245 atoms in block 137 Block first atom: 32695 Blocpdb> 233 atoms in block 138 Block first atom: 32940 Blocpdb> 218 atoms in block 139 Block first atom: 33173 Blocpdb> 255 atoms in block 140 Block first atom: 33391 Blocpdb> 240 atoms in block 141 Block first atom: 33646 Blocpdb> 252 atoms in block 142 Block first atom: 33886 Blocpdb> 258 atoms in block 143 Block first atom: 34138 Blocpdb> 250 atoms in block 144 Block first atom: 34396 Blocpdb> 268 atoms in block 145 Block first atom: 34646 Blocpdb> 228 atoms in block 146 Block first atom: 34914 Blocpdb> 259 atoms in block 147 Block first atom: 35142 Blocpdb> 222 atoms in block 148 Block first atom: 35401 Blocpdb> 258 atoms in block 149 Block first atom: 35623 Blocpdb> 264 atoms in block 150 Block first atom: 35881 Blocpdb> 239 atoms in block 151 Block first atom: 36145 Blocpdb> 244 atoms in block 152 Block first atom: 36384 Blocpdb> 231 atoms in block 153 Block first atom: 36628 Blocpdb> 239 atoms in block 154 Block first atom: 36859 Blocpdb> 272 atoms in block 155 Block first atom: 37098 Blocpdb> 266 atoms in block 156 Block first atom: 37370 Blocpdb> 246 atoms in block 157 Block first atom: 37636 Blocpdb> 247 atoms in block 158 Block first atom: 37882 Blocpdb> 280 atoms in block 159 Block first atom: 38129 Blocpdb> 243 atoms in block 160 Block first atom: 38409 Blocpdb> 263 atoms in block 161 Block first atom: 38652 Blocpdb> 242 atoms in block 162 Block first atom: 38915 Blocpdb> 284 atoms in block 163 Block first atom: 39157 Blocpdb> 261 atoms in block 164 Block first atom: 39441 Blocpdb> 236 atoms in block 165 Block first atom: 39702 Blocpdb> 248 atoms in block 166 Block first atom: 39938 Blocpdb> 241 atoms in block 167 Block first atom: 40186 Blocpdb> 252 atoms in block 168 Block first atom: 40427 Blocpdb> 246 atoms in block 169 Block first atom: 40679 Blocpdb> 226 atoms in block 170 Block first atom: 40925 Blocpdb> 52 atoms in block 171 Block first atom: 41151 Blocpdb> 255 atoms in block 172 Block first atom: 41203 Blocpdb> 240 atoms in block 173 Block first atom: 41458 Blocpdb> 252 atoms in block 174 Block first atom: 41698 Blocpdb> 258 atoms in block 175 Block first atom: 41950 Blocpdb> 250 atoms in block 176 Block first atom: 42208 Blocpdb> 268 atoms in block 177 Block first atom: 42458 Blocpdb> 228 atoms in block 178 Block first atom: 42726 Blocpdb> 259 atoms in block 179 Block first atom: 42954 Blocpdb> 222 atoms in block 180 Block first atom: 43213 Blocpdb> 258 atoms in block 181 Block first atom: 43435 Blocpdb> 264 atoms in block 182 Block first atom: 43693 Blocpdb> 239 atoms in block 183 Block first atom: 43957 Blocpdb> 244 atoms in block 184 Block first atom: 44196 Blocpdb> 231 atoms in block 185 Block first atom: 44440 Blocpdb> 239 atoms in block 186 Block first atom: 44671 Blocpdb> 272 atoms in block 187 Block first atom: 44910 Blocpdb> 266 atoms in block 188 Block first atom: 45182 Blocpdb> 246 atoms in block 189 Block first atom: 45448 Blocpdb> 247 atoms in block 190 Block first atom: 45694 Blocpdb> 280 atoms in block 191 Block first atom: 45941 Blocpdb> 243 atoms in block 192 Block first atom: 46221 Blocpdb> 263 atoms in block 193 Block first atom: 46464 Blocpdb> 242 atoms in block 194 Block first atom: 46727 Blocpdb> 284 atoms in block 195 Block first atom: 46969 Blocpdb> 261 atoms in block 196 Block first atom: 47253 Blocpdb> 236 atoms in block 197 Block first atom: 47514 Blocpdb> 248 atoms in block 198 Block first atom: 47750 Blocpdb> 241 atoms in block 199 Block first atom: 47998 Blocpdb> 252 atoms in block 200 Block first atom: 48239 Blocpdb> 246 atoms in block 201 Block first atom: 48491 Blocpdb> 226 atoms in block 202 Block first atom: 48737 Blocpdb> 52 atoms in block 203 Block first atom: 48962 Blocpdb> 203 blocks. Blocpdb> At most, 284 atoms in each of them. Blocpdb> At least, 8 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: 126005689 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 0m0.289s user 0m0.212s sys 0m0.080s




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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.