Running PDBSTAT from Linux Ayuda is on: /farm/software/PdbStat/PdbStat-5.7 (C) (C) Pdbstat -- A program to evaluate some statistics of macromolecules, (C) given the cartesian coordinates. (C) (C) (c) Copyright 1992-2012 Roberto Tejero and Gaetano T. Montelione (C) Center for Advanced Technology and Medicine (CABM) (C) Rutgers University (C) ** VERSION: 5.7-exp dom mar 10 23:17:04 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 ...) NOTE: Be aware that if you read in a constraint file you *ALWAYS* need to read a sequence file also 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 `SGR145_R3_em_bcr3.pdb' opened for reading > ReadCoordsPdb(): >> EXPDTA NMR, 21 STRUCTURES > ReadCoordsPdb(): >> REMARK PdbStat -- ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ > ReadCoordsPdb(): >> REMARK PdbStat -- PDB COORDINATES FOR TEMP.PDB, 20 MODEL/S TEMP.PDB > ReadCoordsPdb(): >> REMARK PdbStat -- ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ > ReadCoordsPdb(): >> SEQRES 1 A 202 MET TRP ASP GLU ARG PHE SER GLN SER GLU TYR VAL TYR 1 > ReadCoordsPdb(): Counting models in file `SGR145_R3_em_bcr3.pdb'; Model: 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 > ReadCoordsPdb(): After scanning there is(are) 20 model(s) > ReadCoordsPdb(): what model do you want [(1 to 20) or all] ?_ > ReadCoordsPdb(): Reading *all* models in file SGR145_R3_em_bcr3.pdb > ReadCoordsPdb(): Reading a total of (20) models in file > ReadCoordsPdb(): I'm reading!, model 0 > ReadCoordsPdb(): *** SUMMARY *** > ReadCoordsPdb(): --> 62660 ATOM records read from file > ReadCoordsPdb(): --> 62660 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 A 1 0.094 0.638 0.437 0.323 TRP A 2 0.788 0.566 0.399 0.732 ASP A 3 0.795 0.708 0.695 0.977 GLU A 4 0.871 0.733 0.526 0.930 0.977 ARG A 5 0.790 0.803 0.605 0.920 0.861 0.839 1.000 PHE A 6 0.797 0.619 0.231 0.927 SER A 7 0.667 0.530 0.522 GLN A 8 0.717 0.607 0.471 0.373 0.845 SER A 9 0.737 0.647 0.202 GLU A 10 0.866 0.576 0.565 0.922 0.983 TYR A 11 0.855 0.714 0.430 0.883 VAL A 12 0.944 0.753 0.639 TYR A 13 0.763 0.646 0.363 0.969 GLY A 14 0.433 0.582 THR A 15 0.861 0.578 0.265 GLU A 16 0.681 0.883 0.641 0.859 0.888 PRO A 17 0.990 0.690 0.902 0.814 ASN A 18 0.794 0.761 0.541 0.787 ASP A 19 0.657 0.527 0.589 0.948 PHE A 20 0.843 0.980 0.256 0.828 20 LEU A 21 0.990 0.985 0.760 0.682 21 21 VAL A 22 0.977 0.981 0.617 22 22 SER A 23 0.984 0.984 0.362 23 23 VAL A 24 0.941 0.943 0.523 24 24 ALA A 25 0.992 0.989 25 25 ASN A 26 0.986 0.996 0.999 0.999 26 26 GLN A 27 0.994 0.979 0.997 0.835 0.933 27 27 ILE A 28 0.971 0.991 0.923 0.841 28 28 PRO A 29 0.993 0.986 0.919 0.844 29 29 GLN A 30 0.990 0.987 0.532 0.749 0.881 30 30 GLY A 31 0.990 0.989 31 31 LYS A 32 0.989 0.983 0.669 0.997 0.941 0.355 32 32 ILE A 33 0.995 0.996 0.999 0.570 33 33 LEU A 34 0.994 0.997 0.999 1.000 34 34 CYS A 35 0.997 0.985 0.799 35 35 LEU A 36 0.982 0.904 0.656 0.478 36 36 ALA A 37 0.533 0.704 GLU A 38 0.781 0.329 0.089 0.480 0.755 GLY A 39 0.326 0.485 GLU A 40 0.593 0.319 0.583 0.733 0.823 GLY A 41 0.169 0.863 ARG A 42 0.954 0.977 0.543 0.996 0.345 0.555 1.000 42 42 ASN A 43 0.983 0.987 0.996 0.707 43 43 ALA A 44 0.992 0.993 44 44 CYS A 45 0.995 0.992 0.541 45 45 PHE A 46 0.996 0.991 0.559 0.693 46 46 LEU A 47 0.993 0.996 0.805 0.805 47 47 ALA A 48 0.997 0.996 48 48 SER A 49 0.997 0.990 0.850 49 49 LEU A 50 0.990 0.992 0.999 1.000 50 50 GLY A 51 0.995 0.975 51 51 TYR A 52 0.950 0.997 0.998 0.762 52 52 GLU A 53 0.998 0.981 0.732 0.993 0.924 53 53 VAL A 54 0.984 0.996 1.000 54 54 THR A 55 0.995 0.996 1.000 55 55 ALA A 56 0.997 0.990 56 56 VAL A 57 0.987 0.985 1.000 57 57 ASP A 58 0.972 0.978 0.992 0.915 58 58 GLN A 59 0.992 0.994 0.557 0.597 0.870 59 59 SER A 60 0.979 0.944 0.662 60 60 SER A 61 0.986 0.995 1.000 61 61 VAL A 62 0.999 0.998 1.000 62 62 GLY A 63 0.999 0.996 63 63 LEU A 64 0.992 0.998 0.999 1.000 64 64 ALA A 65 1.000 0.998 65 65 LYS A 66 0.997 0.996 0.771 0.997 0.927 0.994 66 66 ALA A 67 0.998 0.997 67 67 LYS A 68 0.999 0.997 1.000 1.000 1.000 0.939 68 68 GLN A 69 0.995 0.994 0.628 0.595 0.929 69 69 LEU A 70 0.998 0.997 0.716 0.695 70 70 ALA A 71 0.998 0.997 71 71 GLN A 72 0.995 0.995 0.936 0.850 0.941 72 72 GLU A 73 0.996 0.995 0.842 0.862 0.944 73 73 LYS A 74 0.996 0.990 0.929 0.921 0.952 0.998 74 74 GLY A 75 0.986 0.991 75 75 VAL A 76 0.995 0.989 0.923 76 76 LYS A 77 0.958 0.954 0.568 0.998 0.999 0.998 77 77 ILE A 78 0.988 0.955 0.384 0.752 78 78 THR A 79 0.979 0.991 0.925 79 79 THR A 80 0.987 0.989 0.858 80 80 VAL A 81 0.998 0.993 1.000 81 81 GLN A 82 0.969 0.975 0.851 0.580 0.922 82 82 SER A 83 0.809 0.871 0.865 83 ASN A 84 0.947 0.899 0.725 0.857 84 LEU A 85 0.984 0.990 0.987 0.831 85 85 ALA A 86 0.986 0.983 86 86 ASP A 87 0.956 0.941 0.702 0.910 87 87 PHE A 88 0.974 0.890 0.210 0.989 88 ASP A 89 0.957 0.976 0.365 0.749 89 89 ILE A 90 0.976 0.981 0.999 0.711 90 90 VAL A 91 0.997 0.979 0.999 91 91 ALA A 92 0.969 0.975 92 92 ASP A 93 0.984 0.996 0.997 0.944 93 93 ALA A 94 0.991 0.989 94 94 TRP A 95 0.986 0.955 0.921 0.410 95 95 GLU A 96 0.955 0.990 0.998 0.784 0.717 96 96 GLY A 97 0.976 0.986 97 97 ILE A 98 0.989 0.997 0.925 0.605 98 98 VAL A 99 0.996 0.948 0.863 99 99 SER A 100 0.928 0.962 1.000 100 100 ILE A 101 0.976 0.969 0.998 0.433 101 101 PHE A 102 0.953 0.966 0.688 0.821 102 102 CYS A 103 0.898 0.912 0.474 103 HIS A 104 0.911 0.937 0.331 0.117 104 104 LEU A 105 0.968 0.993 0.998 0.999 105 105 PRO A 106 0.997 0.994 0.981 0.967 106 106 SER A 107 0.993 0.990 0.840 107 107 SER A 108 0.993 0.978 0.299 108 108 LEU A 109 0.975 0.992 0.914 0.625 109 109 ARG A 110 0.994 0.983 0.652 0.992 0.135 0.641 1.000 110 110 GLN A 111 0.978 0.987 0.632 0.432 0.884 111 111 GLN A 112 0.975 0.984 0.573 0.376 0.701 112 112 LEU A 113 0.989 0.986 0.998 0.999 113 113 TYR A 114 0.990 0.995 0.808 0.535 114 114 PRO A 115 0.996 0.995 0.943 0.881 115 115 LYS A 116 0.992 0.992 0.942 0.477 0.997 0.873 116 116 VAL A 117 0.943 0.964 0.632 117 117 TYR A 118 0.948 0.998 0.999 0.993 118 118 GLN A 119 0.975 0.979 0.743 0.998 0.957 119 119 GLY A 120 0.984 0.943 120 120 LEU A 121 0.969 0.991 0.997 0.761 121 121 LYS A 122 0.946 0.966 0.674 0.403 0.994 0.932 122 122 PRO A 123 0.999 0.993 0.999 1.000 123 123 GLY A 124 0.974 0.963 124 124 GLY A 125 0.957 0.943 125 125 VAL A 126 0.986 0.966 0.852 126 126 PHE A 127 0.983 0.979 0.573 0.911 127 127 ILE A 128 0.972 0.979 0.999 0.832 128 128 LEU A 129 0.988 0.936 0.661 0.863 129 129 GLU A 130 0.972 0.952 0.647 0.988 0.648 130 130 GLY A 131 0.841 0.914 131 PHE A 132 0.975 0.976 0.921 0.929 132 132 ALA A 133 0.938 0.991 133 133 PRO A 134 0.993 0.946 0.903 0.806 134 134 GLU A 135 0.984 0.971 0.764 0.735 0.957 135 135 GLN A 136 0.991 0.990 0.930 0.868 0.926 136 136 LEU A 137 0.960 0.951 0.621 0.625 137 137 GLN A 138 0.969 0.965 0.696 0.502 0.814 138 138 TYR A 139 0.944 0.933 0.857 0.476 139 139 ASN A 140 0.209 0.641 0.526 0.888 THR A 141 0.963 0.953 0.999 141 141 GLY A 142 0.434 0.480 GLY A 143 0.659 0.601 PRO A 144 0.990 0.481 0.898 0.811 LYS A 145 0.571 0.844 0.523 0.865 0.999 1.000 ASP A 146 0.920 0.617 0.577 0.957 LEU A 147 0.873 0.973 0.840 0.815 147 ASP A 148 0.984 0.996 0.998 0.968 148 148 LEU A 149 0.989 0.970 0.993 0.779 149 149 LEU A 150 0.954 0.960 0.854 0.872 150 150 PRO A 151 0.992 0.963 0.897 0.815 151 151 LYS A 152 0.938 0.960 0.565 0.998 0.934 0.997 152 152 LEU A 153 0.996 0.987 0.757 0.594 153 153 GLU A 154 0.986 0.995 0.597 0.999 0.911 154 154 THR A 155 0.981 0.991 0.923 155 155 LEU A 156 0.993 0.993 0.995 0.916 156 156 GLN A 157 0.993 0.994 0.724 0.999 0.849 157 157 SER A 158 0.996 0.995 0.918 158 158 GLU A 159 0.986 0.985 0.873 0.610 0.869 159 159 LEU A 160 0.999 0.990 0.999 0.999 160 160 PRO A 161 0.998 0.997 0.984 0.967 161 161 SER A 162 0.995 0.994 1.000 162 162 LEU A 163 0.984 0.969 0.667 0.669 163 163 ASN A 164 0.987 0.954 0.878 0.863 164 164 TRP A 165 0.975 0.982 0.997 0.718 165 165 LEU A 166 0.980 0.995 0.508 0.538 166 166 ILE A 167 0.989 0.997 0.999 0.580 167 167 ALA A 168 0.999 0.998 168 168 ASN A 169 0.926 0.984 0.792 0.863 169 169 ASN A 170 0.989 0.987 0.933 0.986 170 170 LEU A 171 0.983 0.946 0.632 0.686 171 171 GLU A 172 0.966 0.963 0.577 0.999 0.955 172 172 ARG A 173 0.963 0.971 0.654 0.558 0.653 0.769 1.000 173 173 ASN A 174 0.993 0.971 0.875 0.906 174 174 LEU A 175 0.967 0.926 0.793 0.748 175 175 ASP A 176 0.860 0.546 0.392 0.976 GLU A 177 0.623 0.439 0.479 0.514 0.873 GLY A 178 0.369 0.478 ALA A 179 0.667 0.149 TYR A 180 0.491 0.789 0.484 0.787 HIS A 181 0.659 0.149 0.391 0.326 GLN A 182 0.539 0.531 0.408 0.579 0.793 GLY A 183 0.462 0.700 LYS A 184 0.912 0.964 0.534 0.998 0.997 0.995 184 184 ALA A 185 0.927 0.983 185 185 ALA A 186 0.940 0.968 186 186 LEU A 187 0.988 0.988 0.906 0.586 187 187 ILE A 188 0.986 0.949 0.581 0.642 188 188 GLN A 189 0.952 0.979 0.600 0.614 0.702 189 189 LEU A 190 0.990 0.987 0.984 0.764 190 190 LEU A 191 0.991 0.994 0.994 0.838 191 191 GLY A 192 0.950 0.961 192 192 GLN A 193 0.973 0.982 0.547 0.629 0.749 193 193 LYS A 194 0.986 0.961 0.572 0.836 0.931 0.931 194 194 LEU A 195 0.956 0.904 0.529 0.551 195 195 GLU A 196 0.413 0.565 0.425 0.870 0.946 HIS A 197 0.825 0.584 0.383 0.394 HIS A 198 0.575 0.607 0.482 0.494 HIS A 199 0.789 0.567 0.501 0.347 HIS A 200 0.787 0.446 0.275 0.544 HIS A 201 0.456 0.571 0.452 0.896 HIS A 202 0.801 0.804 0.414 Ranges: 8 from: A 21 to A 36 from: A 42 to A 82 from: A 85 to A 87 from: A 89 to A 102 from: A 104 to A 130 from: A 132 to A 139 from: A 148 to A 175 from: A 184 to A 195 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. A[21..36],A[42..82],A[85..87],A[89..102],A[104..130],A[132..139],A[148..175],A[184..195],for model 1 is: 1.384 > Kabsch RMSD of backbone atoms in res. A[21..36],A[42..82],A[85..87],A[89..102],A[104..130],A[132..139],A[148..175],A[184..195],for model 2 is: 1.427 > Kabsch RMSD of backbone atoms in res. A[21..36],A[42..82],A[85..87],A[89..102],A[104..130],A[132..139],A[148..175],A[184..195],for model 3 is: 1.316 > Kabsch RMSD of backbone atoms in res. A[21..36],A[42..82],A[85..87],A[89..102],A[104..130],A[132..139],A[148..175],A[184..195],for model 4 is: 2.105 > Kabsch RMSD of backbone atoms in res. A[21..36],A[42..82],A[85..87],A[89..102],A[104..130],A[132..139],A[148..175],A[184..195],for model 5 is: 1.153 (*) > Kabsch RMSD of backbone atoms in res. A[21..36],A[42..82],A[85..87],A[89..102],A[104..130],A[132..139],A[148..175],A[184..195],for model 6 is: 1.559 > Kabsch RMSD of backbone atoms in res. A[21..36],A[42..82],A[85..87],A[89..102],A[104..130],A[132..139],A[148..175],A[184..195],for model 7 is: 1.244 > Kabsch RMSD of backbone atoms in res. A[21..36],A[42..82],A[85..87],A[89..102],A[104..130],A[132..139],A[148..175],A[184..195],for model 8 is: 1.852 > Kabsch RMSD of backbone atoms in res. A[21..36],A[42..82],A[85..87],A[89..102],A[104..130],A[132..139],A[148..175],A[184..195],for model 9 is: 1.893 > Kabsch RMSD of backbone atoms in res. A[21..36],A[42..82],A[85..87],A[89..102],A[104..130],A[132..139],A[148..175],A[184..195],for model 10 is: 1.379 > Kabsch RMSD of backbone atoms in res. A[21..36],A[42..82],A[85..87],A[89..102],A[104..130],A[132..139],A[148..175],A[184..195],for model 11 is: 1.857 > Kabsch RMSD of backbone atoms in res. A[21..36],A[42..82],A[85..87],A[89..102],A[104..130],A[132..139],A[148..175],A[184..195],for model 12 is: 1.871 > Kabsch RMSD of backbone atoms in res. A[21..36],A[42..82],A[85..87],A[89..102],A[104..130],A[132..139],A[148..175],A[184..195],for model 13 is: 1.437 > Kabsch RMSD of backbone atoms in res. A[21..36],A[42..82],A[85..87],A[89..102],A[104..130],A[132..139],A[148..175],A[184..195],for model 14 is: 1.385 > Kabsch RMSD of backbone atoms in res. A[21..36],A[42..82],A[85..87],A[89..102],A[104..130],A[132..139],A[148..175],A[184..195],for model 15 is: 1.695 > Kabsch RMSD of backbone atoms in res. A[21..36],A[42..82],A[85..87],A[89..102],A[104..130],A[132..139],A[148..175],A[184..195],for model 16 is: 1.254 > Kabsch RMSD of backbone atoms in res. A[21..36],A[42..82],A[85..87],A[89..102],A[104..130],A[132..139],A[148..175],A[184..195],for model 17 is: 1.530 > Kabsch RMSD of backbone atoms in res. A[21..36],A[42..82],A[85..87],A[89..102],A[104..130],A[132..139],A[148..175],A[184..195],for model 18 is: 1.463 > Kabsch RMSD of backbone atoms in res. A[21..36],A[42..82],A[85..87],A[89..102],A[104..130],A[132..139],A[148..175],A[184..195],for model 19 is: 1.291 > Kabsch RMSD of backbone atoms in res. A[21..36],A[42..82],A[85..87],A[89..102],A[104..130],A[132..139],A[148..175],A[184..195],for model 20 is: 1.910 > > Kabsch RMSD statistics for 20 structures: > Mean RMSD using as refer. str. `average' for res.[21..36],[42..82],[85..87],[89..102],[104..130],[132..139],[148..175],[184..195], is: 1.550 > Range of RMSD values to reference struct. is 1.153 to 2.105 > 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. A[21..36],A[42..82],A[85..87],A[89..102],A[104..130],A[132..139],A[148..175],A[184..195],for model 1 is: 1.759 > Kabsch RMSD of heavy atoms in res. A[21..36],A[42..82],A[85..87],A[89..102],A[104..130],A[132..139],A[148..175],A[184..195],for model 2 is: 1.741 > Kabsch RMSD of heavy atoms in res. A[21..36],A[42..82],A[85..87],A[89..102],A[104..130],A[132..139],A[148..175],A[184..195],for model 3 is: 1.872 > Kabsch RMSD of heavy atoms in res. A[21..36],A[42..82],A[85..87],A[89..102],A[104..130],A[132..139],A[148..175],A[184..195],for model 4 is: 2.368 > Kabsch RMSD of heavy atoms in res. A[21..36],A[42..82],A[85..87],A[89..102],A[104..130],A[132..139],A[148..175],A[184..195],for model 5 is: 1.563 (*) > Kabsch RMSD of heavy atoms in res. A[21..36],A[42..82],A[85..87],A[89..102],A[104..130],A[132..139],A[148..175],A[184..195],for model 6 is: 2.102 > Kabsch RMSD of heavy atoms in res. A[21..36],A[42..82],A[85..87],A[89..102],A[104..130],A[132..139],A[148..175],A[184..195],for model 7 is: 1.571 > Kabsch RMSD of heavy atoms in res. A[21..36],A[42..82],A[85..87],A[89..102],A[104..130],A[132..139],A[148..175],A[184..195],for model 8 is: 2.336 > Kabsch RMSD of heavy atoms in res. A[21..36],A[42..82],A[85..87],A[89..102],A[104..130],A[132..139],A[148..175],A[184..195],for model 9 is: 2.226 > Kabsch RMSD of heavy atoms in res. A[21..36],A[42..82],A[85..87],A[89..102],A[104..130],A[132..139],A[148..175],A[184..195],for model 10 is: 1.742 > Kabsch RMSD of heavy atoms in res. A[21..36],A[42..82],A[85..87],A[89..102],A[104..130],A[132..139],A[148..175],A[184..195],for model 11 is: 2.265 > Kabsch RMSD of heavy atoms in res. A[21..36],A[42..82],A[85..87],A[89..102],A[104..130],A[132..139],A[148..175],A[184..195],for model 12 is: 2.192 > Kabsch RMSD of heavy atoms in res. A[21..36],A[42..82],A[85..87],A[89..102],A[104..130],A[132..139],A[148..175],A[184..195],for model 13 is: 1.775 > Kabsch RMSD of heavy atoms in res. A[21..36],A[42..82],A[85..87],A[89..102],A[104..130],A[132..139],A[148..175],A[184..195],for model 14 is: 1.822 > Kabsch RMSD of heavy atoms in res. A[21..36],A[42..82],A[85..87],A[89..102],A[104..130],A[132..139],A[148..175],A[184..195],for model 15 is: 2.014 > Kabsch RMSD of heavy atoms in res. A[21..36],A[42..82],A[85..87],A[89..102],A[104..130],A[132..139],A[148..175],A[184..195],for model 16 is: 1.623 > Kabsch RMSD of heavy atoms in res. A[21..36],A[42..82],A[85..87],A[89..102],A[104..130],A[132..139],A[148..175],A[184..195],for model 17 is: 1.789 > Kabsch RMSD of heavy atoms in res. A[21..36],A[42..82],A[85..87],A[89..102],A[104..130],A[132..139],A[148..175],A[184..195],for model 18 is: 1.819 > Kabsch RMSD of heavy atoms in res. A[21..36],A[42..82],A[85..87],A[89..102],A[104..130],A[132..139],A[148..175],A[184..195],for model 19 is: 1.679 > Kabsch RMSD of heavy atoms in res. A[21..36],A[42..82],A[85..87],A[89..102],A[104..130],A[132..139],A[148..175],A[184..195],for model 20 is: 2.282 > > Kabsch RMSD statistics for 20 structures: > Mean RMSD using as refer. str. `average' for res.[21..36],[42..82],[85..87],[89..102],[104..130],[132..139],[148..175],[184..195], is: 1.927 > Range of RMSD values to reference struct. is 1.563 to 2.368 PdbStat> PdbStat> *END* of program detected, BYE! ...