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***  SIGNALING PROTEIN 27-MAR-22 7UHY  ***

LOGs for ID: 22080214573340762

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 = 22080214573340762.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 22080214573340762.atom to be opened. Openam> File opened: 22080214573340762.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 = 3657 First residue number = 5 Last residue number = 8 Number of atoms found = 25889 Mean number per residue = 7.1 Pdbmat> Coordinate statistics: = 216.926188 +/- 51.317476 From: 102.715000 To: 316.691000 = 269.256911 +/- 35.803102 From: 196.329000 To: 352.524000 = 210.007746 +/- 31.443423 From: 124.086000 To: 281.820000 Pdbmat> Masses are all set to one. %Pdbmat-W> residue:'UNK ' is not a well known amino-acid. %Pdbmat-W> residue:'UNK ' is not a well known amino-acid. %Pdbmat-W> residue:'UNK ' is not a well known amino-acid. %Pdbmat-W> residue:'UNK ' is not a well known amino-acid. %Pdbmat-W> residue:'UNK ' is not a well known amino-acid. %Pdbmat-W> residue:'UNK ' is not a well known amino-acid. %Pdbmat-W> residue:'UNK ' is not a well known amino-acid. %Pdbmat-W> residue:'UNK ' is not a well known amino-acid. %Pdbmat-W> residue:'UNK ' is not a well known amino-acid. %Pdbmat-W> ........ %Pdbmat-W> 23 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 1.0310 % Filled. Pdbmat> 8955940 non-zero elements. Pdbmat> 978019 atom-atom interactions. Pdbmat> Number per atom= 75.55 +/- 21.51 Maximum number = 129 Minimum number = 11 Pdbmat> Matrix trace = 1.956038E+07 Pdbmat> Larger element = 484.197 Pdbmat> 0 elements larger than +/- 1.0E+10 Pdbmat> Normal end. automatic determination of NRBL (NRBL = nresidues/200 + 1) 3657 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 = 22080214573340762.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 22080214573340762.atom to be opened. Openam> file on opening on unit 11: 22080214573340762.atom Blocpdb> Coordinate file in PDB format. Blocpdb> 25889 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> 3657 residues. Blocpdb> 144 atoms in block 1 Block first atom: 1 Blocpdb> 116 atoms in block 2 Block first atom: 145 Blocpdb> 115 atoms in block 3 Block first atom: 261 Blocpdb> 141 atoms in block 4 Block first atom: 376 Blocpdb> 114 atoms in block 5 Block first atom: 517 Blocpdb> 128 atoms in block 6 Block first atom: 631 Blocpdb> 123 atoms in block 7 Block first atom: 759 Blocpdb> 75 atoms in block 8 Block first atom: 882 Blocpdb> 122 atoms in block 9 Block first atom: 957 Blocpdb> 111 atoms in block 10 Block first atom: 1079 Blocpdb> 98 atoms in block 11 Block first atom: 1190 Blocpdb> 130 atoms in block 12 Block first atom: 1288 Blocpdb> 114 atoms in block 13 Block first atom: 1418 Blocpdb> 133 atoms in block 14 Block first atom: 1532 Blocpdb> 93 atoms in block 15 Block first atom: 1665 Blocpdb> 148 atoms in block 16 Block first atom: 1758 Blocpdb> 147 atoms in block 17 Block first atom: 1906 Blocpdb> 161 atoms in block 18 Block first atom: 2053 Blocpdb> 128 atoms in block 19 Block first atom: 2214 Blocpdb> 153 atoms in block 20 Block first atom: 2342 Blocpdb> 142 atoms in block 21 Block first atom: 2495 Blocpdb> 148 atoms in block 22 Block first atom: 2637 Blocpdb> 130 atoms in block 23 Block first atom: 2785 Blocpdb> 55 atoms in block 24 Block first atom: 2915 Blocpdb> 153 atoms in block 25 Block first atom: 2970 Blocpdb> 116 atoms in block 26 Block first atom: 3123 Blocpdb> 156 atoms in block 27 Block first atom: 3239 Blocpdb> 55 atoms in block 28 Block first atom: 3395 Blocpdb> 127 atoms in block 29 Block first atom: 3450 Blocpdb> 162 atoms in block 30 Block first atom: 3577 Blocpdb> 149 atoms in block 31 Block first atom: 3739 Blocpdb> 149 atoms in block 32 Block first atom: 3888 Blocpdb> 157 atoms in block 33 Block first atom: 4037 Blocpdb> 142 atoms in block 34 Block first atom: 4194 Blocpdb> 139 atoms in block 35 Block first atom: 4336 Blocpdb> 170 atoms in block 36 Block first atom: 4475 Blocpdb> 178 atoms in block 37 Block first atom: 4645 Blocpdb> 135 atoms in block 38 Block first atom: 4823 Blocpdb> 34 atoms in block 39 Block first atom: 4958 Blocpdb> 136 atoms in block 40 Block first atom: 4992 Blocpdb> 63 atoms in block 41 Block first atom: 5128 Blocpdb> 155 atoms in block 42 Block first atom: 5191 Blocpdb> 154 atoms in block 43 Block first atom: 5346 Blocpdb> 99 atoms in block 44 Block first atom: 5500 Blocpdb> 99 atoms in block 45 Block first atom: 5599 Blocpdb> 94 atoms in block 46 Block first atom: 5698 Blocpdb> 97 atoms in block 47 Block first atom: 5792 Blocpdb> 97 atoms in block 48 Block first atom: 5889 Blocpdb> 92 atoms in block 49 Block first atom: 5986 Blocpdb> 96 atoms in block 50 Block first atom: 6078 Blocpdb> 96 atoms in block 51 Block first atom: 6174 Blocpdb> 60 atoms in block 52 Block first atom: 6270 Blocpdb> 96 atoms in block 53 Block first atom: 6330 Blocpdb> 96 atoms in block 54 Block first atom: 6426 Blocpdb> 94 atoms in block 55 Block first atom: 6522 Blocpdb> 96 atoms in block 56 Block first atom: 6616 Blocpdb> 101 atoms in block 57 Block first atom: 6712 Blocpdb> 96 atoms in block 58 Block first atom: 6813 Blocpdb> 65 atoms in block 59 Block first atom: 6909 Blocpdb> 97 atoms in block 60 Block first atom: 6974 Blocpdb> 99 atoms in block 61 Block first atom: 7071 Blocpdb> 10 atoms in block 62 Block first atom: 7170 Blocpdb> 112 atoms in block 63 Block first atom: 7180 Blocpdb> 103 atoms in block 64 Block first atom: 7292 Blocpdb> 161 atoms in block 65 Block first atom: 7395 Blocpdb> 148 atoms in block 66 Block first atom: 7556 Blocpdb> 82 atoms in block 67 Block first atom: 7704 Blocpdb> 124 atoms in block 68 Block first atom: 7786 Blocpdb> 60 atoms in block 69 Block first atom: 7910 Blocpdb> 145 atoms in block 70 Block first atom: 7970 Blocpdb> 116 atoms in block 71 Block first atom: 8115 Blocpdb> 149 atoms in block 72 Block first atom: 8231 Blocpdb> 55 atoms in block 73 Block first atom: 8380 Blocpdb> 124 atoms in block 74 Block first atom: 8435 Blocpdb> 158 atoms in block 75 Block first atom: 8559 Blocpdb> 145 atoms in block 76 Block first atom: 8717 Blocpdb> 145 atoms in block 77 Block first atom: 8862 Blocpdb> 147 atoms in block 78 Block first atom: 9007 Blocpdb> 142 atoms in block 79 Block first atom: 9154 Blocpdb> 139 atoms in block 80 Block first atom: 9296 Blocpdb> 167 atoms in block 81 Block first atom: 9435 Blocpdb> 168 atoms in block 82 Block first atom: 9602 Blocpdb> 136 atoms in block 83 Block first atom: 9770 Blocpdb> 30 atoms in block 84 Block first atom: 9906 Blocpdb> 128 atoms in block 85 Block first atom: 9936 Blocpdb> 44 atoms in block 86 Block first atom: 10064 Blocpdb> 161 atoms in block 87 Block first atom: 10108 Blocpdb> 146 atoms in block 88 Block first atom: 10269 Blocpdb> 68 atoms in block 89 Block first atom: 10415 Blocpdb> 113 atoms in block 90 Block first atom: 10483 Blocpdb> 126 atoms in block 91 Block first atom: 10596 Blocpdb> 105 atoms in block 92 Block first atom: 10722 Blocpdb> 120 atoms in block 93 Block first atom: 10827 Blocpdb> 116 atoms in block 94 Block first atom: 10947 Blocpdb> 134 atoms in block 95 Block first atom: 11063 Blocpdb> 128 atoms in block 96 Block first atom: 11197 Blocpdb> 119 atoms in block 97 Block first atom: 11325 Blocpdb> 153 atoms in block 98 Block first atom: 11444 Blocpdb> 145 atoms in block 99 Block first atom: 11597 Blocpdb> 157 atoms in block 100 Block first atom: 11742 Blocpdb> 138 atoms in block 101 Block first atom: 11899 Blocpdb> 151 atoms in block 102 Block first atom: 12037 Blocpdb> 150 atoms in block 103 Block first atom: 12188 Blocpdb> 153 atoms in block 104 Block first atom: 12338 Blocpdb> 144 atoms in block 105 Block first atom: 12491 Blocpdb> 134 atoms in block 106 Block first atom: 12635 Blocpdb> 137 atoms in block 107 Block first atom: 12769 Blocpdb> 35 atoms in block 108 Block first atom: 12906 Blocpdb> 97 atoms in block 109 Block first atom: 12941 Blocpdb> 155 atoms in block 110 Block first atom: 13038 Blocpdb> 147 atoms in block 111 Block first atom: 13193 Blocpdb> 109 atoms in block 112 Block first atom: 13340 Blocpdb> 163 atoms in block 113 Block first atom: 13449 Blocpdb> 139 atoms in block 114 Block first atom: 13612 Blocpdb> 171 atoms in block 115 Block first atom: 13751 Blocpdb> 162 atoms in block 116 Block first atom: 13922 Blocpdb> 136 atoms in block 117 Block first atom: 14084 Blocpdb> 145 atoms in block 118 Block first atom: 14220 Blocpdb> 145 atoms in block 119 Block first atom: 14365 Blocpdb> 143 atoms in block 120 Block first atom: 14510 Blocpdb> 93 atoms in block 121 Block first atom: 14653 Blocpdb> 139 atoms in block 122 Block first atom: 14746 Blocpdb> 110 atoms in block 123 Block first atom: 14885 Blocpdb> 137 atoms in block 124 Block first atom: 14995 Blocpdb> 153 atoms in block 125 Block first atom: 15132 Blocpdb> 140 atoms in block 126 Block first atom: 15285 Blocpdb> 132 atoms in block 127 Block first atom: 15425 Blocpdb> 162 atoms in block 128 Block first atom: 15557 Blocpdb> 144 atoms in block 129 Block first atom: 15719 Blocpdb> 5 atoms in block 130 Block first atom: 15863 Blocpdb> 162 atoms in block 131 Block first atom: 15868 Blocpdb> 164 atoms in block 132 Block first atom: 16030 Blocpdb> 156 atoms in block 133 Block first atom: 16194 Blocpdb> 139 atoms in block 134 Block first atom: 16350 Blocpdb> 127 atoms in block 135 Block first atom: 16489 Blocpdb> 130 atoms in block 136 Block first atom: 16616 Blocpdb> 149 atoms in block 137 Block first atom: 16746 Blocpdb> 45 atoms in block 138 Block first atom: 16895 Blocpdb> 141 atoms in block 139 Block first atom: 16940 Blocpdb> 150 atoms in block 140 Block first atom: 17081 Blocpdb> 154 atoms in block 141 Block first atom: 17231 Blocpdb> 151 atoms in block 142 Block first atom: 17385 Blocpdb> 117 atoms in block 143 Block first atom: 17536 Blocpdb> 151 atoms in block 144 Block first atom: 17653 Blocpdb> 139 atoms in block 145 Block first atom: 17804 Blocpdb> 153 atoms in block 146 Block first atom: 17943 Blocpdb> 140 atoms in block 147 Block first atom: 18096 Blocpdb> 125 atoms in block 148 Block first atom: 18236 Blocpdb> 150 atoms in block 149 Block first atom: 18361 Blocpdb> 145 atoms in block 150 Block first atom: 18511 Blocpdb> 152 atoms in block 151 Block first atom: 18656 Blocpdb> 123 atoms in block 152 Block first atom: 18808 Blocpdb> 164 atoms in block 153 Block first atom: 18931 Blocpdb> 134 atoms in block 154 Block first atom: 19095 Blocpdb> 132 atoms in block 155 Block first atom: 19229 Blocpdb> 95 atoms in block 156 Block first atom: 19361 Blocpdb> 111 atoms in block 157 Block first atom: 19456 Blocpdb> 112 atoms in block 158 Block first atom: 19567 Blocpdb> 119 atoms in block 159 Block first atom: 19679 Blocpdb> 83 atoms in block 160 Block first atom: 19798 Blocpdb> 103 atoms in block 161 Block first atom: 19881 Blocpdb> 110 atoms in block 162 Block first atom: 19984 Blocpdb> 103 atoms in block 163 Block first atom: 20094 Blocpdb> 107 atoms in block 164 Block first atom: 20197 Blocpdb> 104 atoms in block 165 Block first atom: 20304 Blocpdb> 100 atoms in block 166 Block first atom: 20408 Blocpdb> 111 atoms in block 167 Block first atom: 20508 Blocpdb> 118 atoms in block 168 Block first atom: 20619 Blocpdb> 102 atoms in block 169 Block first atom: 20737 Blocpdb> 125 atoms in block 170 Block first atom: 20839 Blocpdb> 110 atoms in block 171 Block first atom: 20964 Blocpdb> 103 atoms in block 172 Block first atom: 21074 Blocpdb> 148 atoms in block 173 Block first atom: 21177 Blocpdb> 150 atoms in block 174 Block first atom: 21325 Blocpdb> 151 atoms in block 175 Block first atom: 21475 Blocpdb> 151 atoms in block 176 Block first atom: 21626 Blocpdb> 113 atoms in block 177 Block first atom: 21777 Blocpdb> 151 atoms in block 178 Block first atom: 21890 Blocpdb> 135 atoms in block 179 Block first atom: 22041 Blocpdb> 158 atoms in block 180 Block first atom: 22176 Blocpdb> 141 atoms in block 181 Block first atom: 22334 Blocpdb> 130 atoms in block 182 Block first atom: 22475 Blocpdb> 158 atoms in block 183 Block first atom: 22605 Blocpdb> 140 atoms in block 184 Block first atom: 22763 Blocpdb> 157 atoms in block 185 Block first atom: 22903 Blocpdb> 122 atoms in block 186 Block first atom: 23060 Blocpdb> 163 atoms in block 187 Block first atom: 23182 Blocpdb> 135 atoms in block 188 Block first atom: 23345 Blocpdb> 110 atoms in block 189 Block first atom: 23480 Blocpdb> 145 atoms in block 190 Block first atom: 23590 Blocpdb> 152 atoms in block 191 Block first atom: 23735 Blocpdb> 140 atoms in block 192 Block first atom: 23887 Blocpdb> 154 atoms in block 193 Block first atom: 24027 Blocpdb> 162 atoms in block 194 Block first atom: 24181 Blocpdb> 143 atoms in block 195 Block first atom: 24343 Blocpdb> 128 atoms in block 196 Block first atom: 24486 Blocpdb> 143 atoms in block 197 Block first atom: 24614 Blocpdb> 58 atoms in block 198 Block first atom: 24757 Blocpdb> 156 atoms in block 199 Block first atom: 24815 Blocpdb> 147 atoms in block 200 Block first atom: 24971 Blocpdb> 136 atoms in block 201 Block first atom: 25118 Blocpdb> 139 atoms in block 202 Block first atom: 25254 Blocpdb> 169 atoms in block 203 Block first atom: 25393 Blocpdb> 136 atoms in block 204 Block first atom: 25562 Blocpdb> 77 atoms in block 205 Block first atom: 25698 Blocpdb> 75 atoms in block 206 Block first atom: 25775 Blocpdb> 40 atoms in block 207 Block first atom: 25849 Blocpdb> 207 blocks. Blocpdb> At most, 178 atoms in each of them. Blocpdb> At least, 5 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: 41759335 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 0m0.178s user 0m0.176s sys 0m0.000s




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