Running PDBSTAT from Linux Ayuda is on: /farm/software/PdbStat/PdbStat-5.9 (C) (C) Pdbstat -- A program to evaluate some statistics of macromolecules, (C) given the cartesian coordinates. (C) (C) (c) Copyright 1992-2013 Roberto Tejero and Gaetano T. Montelione (C) Center for Advanced Technology and Medicine (CABM) (C) Rutgers University (C) ** VERSION: 5.9-exp mar may 14 00:20:00 UTC 2013 ** ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ===============> W E L C O M E to PDBStat <================ PDBStat has become a tool able (between other things) of: a) read and interconvert between DISMAN, DYANA, PDB, DISCOVER, IMPACT b) elaborate some info about the molecule as MW, Radius of gyration, .. c) investigate the setereochemical quality of a protein by evaluating phi, psi, chi1, impropers and chirality The sequence of acts should be: 1.- read a file (coords, constr) 2.- read a sequence file (can be free format) 3.- Follow menu (calculating, writing ...) HAVE FUN AND ENJOY !! **** For more info type `help' or `menu' **** --> ... Reading/Loading Distances file ... 125 distance records read --> ... Reading/Loading Dihedral Library .. 1119 library records read PdbStat> [rea]d [hel]p [his]tory [men]u [phi] [qui]t... PdbStat> leyendo PDB > locate_file(): file `MBR242E_R3Cons_em_bcr3.pdb' opened for reading > ReadCoordsPdb(): >> EXPDTA NMR, 19 STRUCTURES > ReadCoordsPdb(): >> REMARK PdbStat -- ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ > ReadCoordsPdb(): >> REMARK PdbStat -- PDB COORDINATES FOR TEMP_BCM_111.PDB, 18 MODEL/S TEMP_BCM_111.PDB > ReadCoordsPdb(): >> REMARK PdbStat -- ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ > ReadCoordsPdb(): >> SEQRES 1 A 108 MET ALA GLY GLN SER ASP ARG LYS ALA ALA LEU LEU ASP > ReadCoordsPdb(): Counting models in file `MBR242E_R3Cons_em_bcr3.pdb'; Model: > ReadCoordsPdb(): After scanning there is(are) 18 model(s) > ReadCoordsPdb(): what model do you want [(1 to 18) or all] ?_ > ReadCoordsPdb(): Reading *all* models in file MBR242E_R3Cons_em_bcr3.pdb > ReadCoordsPdb(): Reading a total of (18) models in file > ReadCoordsPdb(): I'm reading!, model 0 > ReadCoordsPdb(): *** SUMMARY *** > ReadCoordsPdb(): --> 59652 ATOM records read from file > ReadCoordsPdb(): --> 59652 Regular IUPAC Atoms > ReadCoordsPdb(): --> 0 Pseudo-atoms (DISMAN type) > ReadCoordsPdb(): --> 0 Lone pairs > ReadCoordsPdb(): Bye ... > ReadCoordsPdb(): ** monomer, 1 [1] chains ** PdbStat> > calc_order_parameters(): ... Evaluating Dihedrals CHAIN .GT. SUM.GT. RES ID DIH S(phi) S(psi) S(chi1) S(chi2) S(chi3) S(chi4) S(chi5) 0.90 1.6 ----------------------------------------------------------------------------------- MET M 1 0.394 0.718 0.432 0.188 ALA M 2 0.364 0.329 GLY M 3 0.287 0.265 GLN M 4 0.299 0.337 0.586 0.517 0.846 SER M 5 0.459 0.215 0.380 ASP M 6 0.686 0.625 0.535 0.958 ARG M 7 0.997 0.996 0.866 0.999 0.922 0.934 1.000 7 7 LYS M 8 0.998 0.989 0.443 0.922 0.397 0.998 8 8 ALA M 9 0.999 0.997 9 9 ALA M 10 0.999 0.998 10 10 LEU M 11 0.999 0.998 0.844 0.787 11 11 LEU M 12 0.999 0.998 0.999 0.999 12 12 ASP M 13 1.000 0.998 1.000 1.000 13 13 GLN M 14 0.999 0.999 0.809 0.759 0.860 14 14 VAL M 15 0.997 0.993 0.638 15 15 ALA M 16 0.998 0.999 16 16 ARG M 17 0.998 0.998 0.640 0.985 0.575 0.391 1.000 17 17 VAL M 18 0.999 0.998 1.000 18 18 GLY M 19 0.999 0.999 19 19 LYS M 20 0.998 0.999 0.805 0.999 1.000 1.000 20 20 ALA M 21 1.000 0.999 21 21 LEU M 22 0.998 0.987 1.000 1.000 22 22 ALA M 23 0.988 0.806 23 ASN M 24 0.535 0.066 0.675 0.832 GLY M 25 0.199 0.692 ARG M 26 0.992 0.990 0.998 0.567 0.857 0.879 1.000 26 26 ARG M 27 0.996 0.995 0.771 0.986 0.548 0.656 1.000 27 27 LEU M 28 0.997 0.995 0.998 0.996 28 28 GLN M 29 0.999 0.999 0.641 0.999 0.993 29 29 ILE M 30 1.000 0.999 1.000 0.915 30 30 LEU M 31 1.000 0.999 1.000 1.000 31 31 ASP M 32 0.999 0.998 0.994 0.905 32 32 LEU M 33 0.999 0.998 0.850 0.860 33 33 LEU M 34 0.999 0.999 1.000 0.999 34 34 ALA M 35 0.999 1.000 35 35 GLN M 36 0.997 0.992 0.999 0.998 0.884 36 36 GLY M 37 0.992 0.988 37 37 GLU M 38 0.998 0.999 0.921 0.997 0.808 38 38 ARG M 39 0.999 1.000 1.000 0.936 1.000 1.000 1.000 39 39 ALA M 40 0.999 0.999 40 40 VAL M 41 1.000 1.000 1.000 41 41 GLU M 42 1.000 1.000 0.863 0.999 0.981 42 42 ALA M 43 1.000 1.000 43 43 ILE M 44 1.000 1.000 1.000 1.000 44 44 ALA M 45 1.000 0.999 45 45 THR M 46 1.000 1.000 1.000 46 46 ALA M 47 1.000 1.000 47 47 THR M 48 0.999 0.998 1.000 48 48 GLY M 49 0.999 0.999 49 49 MET M 50 0.995 0.996 0.505 0.996 0.269 50 50 ASN M 51 0.998 0.996 0.815 0.920 51 51 LEU M 52 0.999 0.998 0.836 0.845 52 52 THR M 53 0.998 0.998 0.916 53 53 THR M 54 1.000 0.999 1.000 54 54 ALA M 55 1.000 0.999 55 55 SER M 56 0.999 0.996 0.364 56 56 ALA M 57 1.000 1.000 57 57 ASN M 58 0.999 0.999 0.998 0.969 58 58 LEU M 59 1.000 1.000 1.000 1.000 59 59 GLN M 60 1.000 0.999 0.638 0.377 0.853 60 60 ALA M 61 1.000 1.000 61 61 LEU M 62 0.999 0.993 0.999 1.000 62 62 LYS M 63 0.997 0.996 0.999 0.995 0.640 0.499 63 63 SER M 64 0.999 0.995 0.401 64 64 GLY M 65 0.941 0.970 65 65 GLY M 66 0.780 0.985 LEU M 67 0.780 0.914 0.958 0.432 VAL M 68 0.999 0.999 1.000 68 68 GLU M 69 0.996 0.998 0.755 0.874 0.927 69 69 ALA M 70 0.999 1.000 70 70 ARG M 71 0.993 0.995 0.571 0.584 0.785 0.583 1.000 71 71 ARG M 72 0.996 0.993 0.656 0.926 0.853 0.940 1.000 72 72 GLU M 73 0.998 0.998 0.597 0.862 0.957 73 73 GLY M 74 1.000 1.000 74 74 THR M 75 0.999 0.999 1.000 75 75 ARG M 76 0.996 0.998 0.818 0.998 0.605 0.559 1.000 76 76 GLN M 77 0.997 0.994 0.681 0.996 0.758 77 77 TYR M 78 0.996 0.999 0.997 0.887 78 78 TYR M 79 0.999 0.999 0.999 1.000 79 79 ARG M 80 1.000 0.998 0.997 0.742 0.930 0.611 1.000 80 80 ILE M 81 0.997 0.999 0.999 0.701 81 81 ALA M 82 0.981 0.876 82 GLY M 83 0.910 0.987 83 83 GLU M 84 1.000 0.998 0.928 0.999 0.946 84 84 ASP M 85 1.000 0.999 0.999 0.982 85 85 VAL M 86 1.000 1.000 1.000 86 86 ALA M 87 1.000 0.999 87 87 ARG M 88 0.999 0.999 1.000 0.999 0.999 0.792 1.000 88 88 LEU M 89 0.999 0.997 0.998 0.854 89 89 PHE M 90 0.999 1.000 0.997 0.999 90 90 ALA M 91 1.000 1.000 91 91 LEU M 92 0.999 0.999 1.000 1.000 92 92 VAL M 93 0.999 0.997 0.873 93 93 GLN M 94 1.000 0.999 0.880 0.999 0.799 94 94 VAL M 95 1.000 0.998 1.000 95 95 VAL M 96 0.998 0.995 0.811 96 96 ALA M 97 0.999 0.999 97 97 ASP M 98 0.997 0.994 0.874 0.899 98 98 GLU M 99 0.995 0.997 0.856 0.465 0.900 99 99 HIS M 100 0.993 0.993 0.928 0.628 100 100 LEU M 101 0.975 0.948 0.546 0.539 101 101 GLU M 102 0.608 0.291 0.503 0.917 0.933 HIS M 103 0.604 0.427 0.577 0.228 HIS M 104 0.778 0.318 0.583 0.146 HIS M 105 0.600 0.327 0.573 0.622 HIS M 106 0.629 0.317 0.371 0.360 HIS M 107 0.567 0.473 0.597 0.600 HIS M 108 0.529 0.258 0.783 0.744 MET M 119 0.415 0.394 0.718 0.433 0.188 ALA M 120 0.364 0.329 GLY M 121 0.287 0.265 GLN M 122 0.299 0.337 0.586 0.517 0.846 SER M 123 0.459 0.215 0.380 ASP M 124 0.686 0.625 0.535 0.958 ARG M 125 0.997 0.996 0.866 0.999 0.922 0.934 1.000 125 125 LYS M 126 0.998 0.989 0.443 0.922 0.397 0.998 126 126 ALA M 127 0.999 0.997 127 127 ALA M 128 0.999 0.998 128 128 LEU M 129 0.999 0.998 0.844 0.787 129 129 LEU M 130 0.999 0.998 0.999 0.999 130 130 ASP M 131 1.000 0.998 1.000 1.000 131 131 GLN M 132 0.999 1.000 0.809 0.759 0.860 132 132 VAL M 133 0.997 0.993 0.638 133 133 ALA M 134 0.998 0.999 134 134 ARG M 135 0.998 0.998 0.639 0.985 0.574 0.391 1.000 135 135 VAL M 136 0.999 0.998 1.000 136 136 GLY M 137 0.999 0.999 137 137 LYS M 138 0.999 0.999 0.805 0.999 1.000 1.000 138 138 ALA M 139 1.000 0.999 139 139 LEU M 140 0.998 0.987 1.000 1.000 140 140 ALA M 141 0.988 0.806 141 ASN M 142 0.535 0.066 0.675 0.832 GLY M 143 0.198 0.692 ARG M 144 0.992 0.990 0.998 0.567 0.857 0.879 1.000 144 144 ARG M 145 0.996 0.995 0.771 0.986 0.548 0.655 1.000 145 145 LEU M 146 0.997 0.995 0.998 0.996 146 146 GLN M 147 0.999 0.999 0.641 0.999 0.993 147 147 ILE M 148 1.000 0.999 1.000 0.915 148 148 LEU M 149 1.000 0.999 1.000 1.000 149 149 ASP M 150 0.999 0.998 0.994 0.905 150 150 LEU M 151 0.999 0.998 0.850 0.859 151 151 LEU M 152 0.999 0.999 1.000 0.999 152 152 ALA M 153 0.999 1.000 153 153 GLN M 154 0.997 0.992 0.999 0.998 0.884 154 154 GLY M 155 0.992 0.988 155 155 GLU M 156 0.998 0.999 0.921 0.997 0.808 156 156 ARG M 157 0.999 1.000 1.000 0.936 1.000 1.000 1.000 157 157 ALA M 158 0.999 0.999 158 158 VAL M 159 1.000 1.000 1.000 159 159 GLU M 160 1.000 1.000 0.863 0.999 0.981 160 160 ALA M 161 1.000 1.000 161 161 ILE M 162 1.000 1.000 1.000 1.000 162 162 ALA M 163 1.000 0.999 163 163 THR M 164 1.000 1.000 1.000 164 164 ALA M 165 1.000 1.000 165 165 THR M 166 0.999 0.998 1.000 166 166 GLY M 167 0.999 0.999 167 167 MET M 168 0.995 0.996 0.505 0.996 0.269 168 168 ASN M 169 0.998 0.996 0.815 0.920 169 169 LEU M 170 0.999 0.998 0.836 0.845 170 170 THR M 171 0.998 0.998 0.916 171 171 THR M 172 1.000 0.999 1.000 172 172 ALA M 173 1.000 0.999 173 173 SER M 174 0.999 0.996 0.364 174 174 ALA M 175 1.000 1.000 175 175 ASN M 176 0.999 0.999 0.998 0.969 176 176 LEU M 177 1.000 1.000 1.000 1.000 177 177 GLN M 178 1.000 0.999 0.638 0.377 0.853 178 178 ALA M 179 1.000 1.000 179 179 LEU M 180 0.999 0.993 0.999 1.000 180 180 LYS M 181 0.997 0.996 0.999 0.995 0.640 0.499 181 181 SER M 182 0.999 0.995 0.401 182 182 GLY M 183 0.941 0.970 183 183 GLY M 184 0.780 0.985 LEU M 185 0.780 0.914 0.958 0.432 VAL M 186 0.999 0.999 1.000 186 186 GLU M 187 0.996 0.998 0.755 0.874 0.927 187 187 ALA M 188 0.999 1.000 188 188 ARG M 189 0.993 0.995 0.571 0.584 0.785 0.583 1.000 189 189 ARG M 190 0.996 0.993 0.656 0.926 0.853 0.940 1.000 190 190 GLU M 191 0.998 0.998 0.597 0.862 0.957 191 191 GLY M 192 1.000 1.000 192 192 THR M 193 0.999 0.999 1.000 193 193 ARG M 194 0.996 0.998 0.818 0.998 0.605 0.559 1.000 194 194 GLN M 195 0.998 0.994 0.681 0.996 0.758 195 195 TYR M 196 0.996 0.999 0.997 0.887 196 196 TYR M 197 0.999 0.999 0.999 1.000 197 197 ARG M 198 1.000 0.998 0.997 0.742 0.930 0.611 1.000 198 198 ILE M 199 0.997 0.999 0.999 0.701 199 199 ALA M 200 0.982 0.876 200 GLY M 201 0.910 0.987 201 201 GLU M 202 1.000 0.998 0.928 0.999 0.946 202 202 ASP M 203 1.000 0.999 0.999 0.982 203 203 VAL M 204 1.000 1.000 1.000 204 204 ALA M 205 1.000 0.999 205 205 ARG M 206 0.999 0.999 1.000 0.999 0.999 0.792 1.000 206 206 LEU M 207 0.999 0.997 0.998 0.854 207 207 PHE M 208 0.999 1.000 0.997 0.999 208 208 ALA M 209 1.000 1.000 209 209 LEU M 210 0.999 0.999 1.000 1.000 210 210 VAL M 211 0.999 0.997 0.873 211 211 GLN M 212 1.000 0.999 0.880 0.999 0.799 212 212 VAL M 213 1.000 0.998 1.000 213 213 VAL M 214 0.998 0.995 0.811 214 214 ALA M 215 0.999 0.999 215 215 ASP M 216 0.997 0.994 0.874 0.899 216 216 GLU M 217 0.995 0.997 0.856 0.465 0.900 217 217 HIS M 218 0.993 0.993 0.928 0.628 218 218 LEU M 219 0.975 0.948 0.546 0.539 219 219 GLU M 220 0.608 0.291 0.503 0.917 0.933 HIS M 221 0.604 0.427 0.577 0.228 HIS M 222 0.779 0.318 0.583 0.146 HIS M 223 0.600 0.327 0.573 0.622 HIS M 224 0.629 0.317 0.371 0.360 HIS M 225 0.567 0.473 0.597 0.600 HIS M 226 0.529 0.783 0.744 Ranges: 8 from: M 7 to M 22 from: M 26 to M 65 from: M 68 to M 81 from: M 83 to M 101 from: M 125 to M 140 from: M 144 to M 183 from: M 186 to M 199 from: M 201 to M 219 PdbStat> > do_average_coords(): Making average for backbone atoms > do_average_coords(): Calculating center of masses > do_average_coords(): Calling optimal rotation for backbone onto model 1 > do_average_coords(): Calc. average coordinates backbone > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model 1 is: 1.000 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model 2 is: 0.828 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model 3 is: 0.861 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model 4 is: 0.872 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model 5 is: 0.692 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model 6 is: 0.494 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model 7 is: 0.472 (*) > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model 8 is: 0.728 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model 9 is: 0.750 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model 10 is: 0.630 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model 11 is: 0.809 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model 12 is: 0.836 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model 13 is: 0.666 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model 14 is: 0.660 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model 15 is: 0.711 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model 16 is: 0.793 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model 17 is: 0.895 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model 18 is: 0.664 > > Kabsch RMSD statistics for 18 structures: > Mean RMSD using as refer. str. `average' for res.[7..22],[26..65],[68..81],[83..101],[125..140],[144..183],[186..199],[201..219], is: 0.742 > Range of RMSD values to reference struct. is 0.472 to 1.000 > do_average_coords(): Making average for heavy atoms > do_average_coords(): Calculating center of masses > do_average_coords(): Calling optimal rotation for heavy onto model 1 > do_average_coords(): Calc. average coordinates heavy > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model 1 is: 1.302 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model 2 is: 1.147 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model 3 is: 1.144 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model 4 is: 1.193 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model 5 is: 0.980 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model 6 is: 0.839 (*) > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model 7 is: 0.855 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model 8 is: 1.051 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model 9 is: 1.041 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model 10 is: 0.993 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model 11 is: 1.113 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model 12 is: 1.023 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model 13 is: 0.962 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model 14 is: 0.986 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model 15 is: 0.960 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model 16 is: 1.263 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model 17 is: 1.178 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model 18 is: 1.040 > > Kabsch RMSD statistics for 18 structures: > Mean RMSD using as refer. str. `average' for res.[7..22],[26..65],[68..81],[83..101],[125..140],[144..183],[186..199],[201..219], is: 1.059 > Range of RMSD values to reference struct. is 0.839 to 1.302 PdbStat> PdbStat> *END* of program detected, BYE! ...