Author: bugman
Date: Tue Jun 10 09:29:19 2014
New Revision: 23773
URL: http://svn.gna.org/viewcvs/relax?rev=23773&view=rev
Log:
Added the full optimisation results for the rotor frame order model.
This is for the 2-site CaM test data using the new frame_order.py
optimisation script.
Added:
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_2_state/ave_pos.pdb.gz
(with props)
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_2_state/ave_pos_fixed_piv.pdb.gz
(with props)
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_2_state/ave_pos_true.pdb.gz
(with props)
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order.pdb.gz
(with props)
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order_fixed_piv.pdb.gz
(with props)
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order_true.pdb.gz
(with props)
Removed:
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_2_state/ave_pos.pdb
Modified:
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order.bz2
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order.log.bz2
Removed:
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_2_state/ave_pos.pdb
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_2_state/ave_pos.pdb?rev=23772&view=auto
==============================================================================
---
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_2_state/ave_pos.pdb
(original)
+++
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_2_state/ave_pos.pdb
(removed)
@@ -1,144 +0,0 @@
-REMARK 4 THIS FILE COMPLIES WITH FORMAT V. 3.1, 1-AUG-2007
-REMARK 40 CREATED BY RELAX (HTTP://NMR-RELAX.COM)
-HET A CA1000 1
-HET A CA1001 1
-HETNAM CA Unknown
-FORMUL 1000 CA CA1
-ATOM 1 N GLU A 82 34.183 -0.550 20.134 1.00 0.00
N
-ATOM 2 N GLU A 83 36.504 -2.172 20.540 1.00 0.00
N
-ATOM 3 H GLU A 83 36.691 -1.295 20.145 1.00 0.00
H
-ATOM 4 N GLU A 84 36.514 -2.072 23.306 1.00 0.00
N
-ATOM 5 H GLU A 84 36.343 -1.250 22.800 1.00 0.00
H
-ATOM 6 N ILE A 85 34.140 -3.404 23.863 1.00 0.00
N
-ATOM 7 H ILE A 85 34.134 -2.746 23.137 1.00 0.00
H
-ATOM 8 N ARG A 86 34.690 -5.883 22.657 1.00 0.00
N
-ATOM 9 H ARG A 86 34.897 -5.077 22.139 1.00 0.00
H
-ATOM 10 N GLU A 87 37.073 -6.673 24.032 1.00 0.00
N
-ATOM 11 H GLU A 87 37.120 -5.774 23.643 1.00 0.00
H
-ATOM 12 N ALA A 88 35.977 -6.728 26.587 1.00 0.00
N
-ATOM 13 H ALA A 88 35.799 -5.933 26.042 1.00 0.00
H
-ATOM 14 N PHE A 89 34.102 -8.711 26.113 1.00 0.00
N
-ATOM 15 H PHE A 89 34.214 -8.018 25.430 1.00 0.00
H
-ATOM 16 N ARG A 90 35.819 -10.864 25.666 1.00 0.00
N
-ATOM 17 H ARG A 90 36.064 -9.992 25.291 1.00 0.00
H
-ATOM 18 N VAL A 91 36.934 -11.005 28.154 1.00 0.00
N
-ATOM 19 H VAL A 91 36.693 -10.143 27.753 1.00 0.00
H
-ATOM 20 N PHE A 92 34.873 -11.977 29.748 1.00 0.00
N
-ATOM 21 H PHE A 92 34.664 -11.374 29.004 1.00 0.00
H
-ATOM 22 N ASP A 93 34.527 -14.406 28.597 1.00 0.00
N
-ATOM 23 H ASP A 93 34.846 -13.618 28.109 1.00 0.00
H
-ATOM 24 N LYS A 94 35.775 -16.824 29.905 1.00 0.00
N
-ATOM 25 H LYS A 94 34.908 -16.700 30.345 1.00 0.00
H
-ATOM 26 N ASP A 95 36.655 -19.405 29.204 1.00 0.00
N
-ATOM 27 H ASP A 95 35.694 -19.215 29.231 1.00 0.00
H
-ATOM 28 N GLY A 96 37.297 -18.979 26.618 1.00 0.00
N
-ATOM 29 H GLY A 96 36.878 -18.340 27.230 1.00 0.00
H
-ATOM 30 N ASN A 97 35.647 -19.760 24.614 1.00 0.00
N
-ATOM 31 H ASN A 97 35.369 -19.629 25.544 1.00 0.00
H
-ATOM 32 N GLY A 98 34.232 -18.262 22.873 1.00 0.00
N
-ATOM 33 H GLY A 98 34.822 -17.918 23.577 1.00 0.00
H
-ATOM 34 N TYR A 99 31.686 -17.671 23.446 1.00 0.00
N
-ATOM 35 H TYR A 99 32.304 -18.212 23.982 1.00 0.00
H
-ATOM 36 N ILE A 100 29.372 -16.424 25.864 1.00 0.00
N
-ATOM 37 H ILE A 100 28.816 -15.910 25.244 1.00 0.00
H
-ATOM 38 N SER A 101 28.364 -17.859 28.834 1.00 0.00
N
-ATOM 39 H SER A 101 29.286 -17.946 29.154 1.00 0.00
H
-ATOM 40 N ALA A 102 25.375 -18.314 30.853 1.00 0.00
N
-ATOM 41 H ALA A 102 24.967 -19.074 30.388 1.00 0.00
H
-ATOM 42 N ALA A 103 25.946 -18.769 33.573 1.00 0.00
N
-ATOM 43 H ALA A 103 25.832 -19.562 33.008 1.00 0.00
H
-ATOM 44 N GLU A 104 28.523 -17.834 33.548 1.00 0.00
N
-ATOM 45 H GLU A 104 28.153 -18.300 32.770 1.00 0.00
H
-ATOM 46 N LEU A 105 28.026 -15.195 33.232 1.00 0.00
N
-ATOM 47 H LEU A 105 27.479 -15.864 32.768 1.00 0.00
H
-ATOM 48 N ARG A 106 26.962 -14.639 35.685 1.00 0.00
N
-ATOM 49 H ARG A 106 26.765 -15.491 35.239 1.00 0.00
H
-ATOM 50 N HIS A 107 29.212 -14.835 37.245 1.00 0.00
N
-ATOM 51 H HIS A 107 29.097 -15.419 36.462 1.00 0.00
H
-ATOM 52 N VAL A 108 30.820 -12.641 36.382 1.00 0.00
N
-ATOM 53 H VAL A 108 30.483 -13.208 35.655 1.00 0.00
H
-ATOM 54 N MET A 109 28.992 -10.496 36.784 1.00 0.00
N
-ATOM 55 H MET A 109 28.659 -11.257 36.264 1.00 0.00
H
-ATOM 56 N THR A 110 28.369 -10.820 39.521 1.00 0.00
N
-ATOM 57 H THR A 110 28.405 -11.624 38.961 1.00 0.00
H
-ATOM 58 N ASN A 111 30.893 -10.443 40.812 1.00 0.00
N
-ATOM 59 H ASN A 111 30.906 -11.033 40.027 1.00 0.00
H
-ATOM 60 N LEU A 112 31.455 -7.990 39.760 1.00 0.00
N
-ATOM 61 H LEU A 112 30.991 -8.689 39.253 1.00 0.00
H
-ATOM 62 N GLY A 113 29.968 -6.415 41.270 1.00 0.00
N
-ATOM 63 H GLY A 113 30.083 -7.385 41.336 1.00 0.00
H
-ATOM 64 N GLU A 114 27.318 -6.516 40.923 1.00 0.00
N
-ATOM 65 H GLU A 114 28.013 -6.849 40.317 1.00 0.00
H
-ATOM 66 N LYS A 115 24.673 -8.396 41.957 1.00 0.00
N
-ATOM 67 H LYS A 115 24.256 -7.631 42.408 1.00 0.00
H
-ATOM 68 N LEU A 116 22.934 -10.902 40.702 1.00 0.00
N
-ATOM 69 H LEU A 116 23.786 -11.231 40.345 1.00 0.00
H
-ATOM 70 N THR A 117 20.023 -12.998 40.433 1.00 0.00
N
-ATOM 71 H THR A 117 19.358 -12.299 40.262 1.00 0.00
H
-ATOM 72 N ASP A 118 19.493 -16.474 39.490 1.00 0.00
N
-ATOM 73 H ASP A 118 19.472 -16.923 40.362 1.00 0.00
H
-ATOM 74 N GLU A 119 17.225 -16.419 37.940 1.00 0.00
N
-ATOM 75 H GLU A 119 17.164 -16.386 38.918 1.00 0.00
H
-ATOM 76 N GLU A 120 16.938 -13.717 37.262 1.00 0.00
N
-ATOM 77 H GLU A 120 17.171 -13.938 38.188 1.00 0.00
H
-ATOM 78 N VAL A 121 19.157 -13.455 35.644 1.00 0.00
N
-ATOM 79 H VAL A 121 19.205 -14.017 36.446 1.00 0.00
H
-ATOM 80 N ASP A 122 18.416 -15.202 33.720 1.00 0.00
N
-ATOM 81 H ASP A 122 18.247 -15.400 34.664 1.00 0.00
H
-ATOM 82 N GLU A 123 16.393 -13.755 32.554 1.00 0.00
N
-ATOM 83 H GLU A 123 16.456 -13.739 33.532 1.00 0.00
H
-ATOM 84 N MET A 124 17.894 -11.641 31.434 1.00 0.00
N
-ATOM 85 H MET A 124 18.108 -11.873 32.366 1.00 0.00
H
-ATOM 86 N ILE A 125 19.527 -13.143 29.733 1.00 0.00
N
-ATOM 87 H ILE A 125 19.407 -13.451 30.654 1.00 0.00
H
-ATOM 88 N ARG A 126 17.613 -14.469 28.113 1.00 0.00
N
-ATOM 89 H ARG A 126 17.464 -14.542 29.079 1.00 0.00
H
-ATOM 90 N GLU A 127 16.484 -12.196 26.972 1.00 0.00
N
-ATOM 91 H GLU A 127 16.730 -12.179 27.921 1.00 0.00
H
-ATOM 92 N ALA A 128 18.677 -11.028 25.669 1.00 0.00
N
-ATOM 93 H ALA A 128 18.813 -11.346 26.586 1.00 0.00
H
-ATOM 94 N ASP A 129 19.500 -13.214 24.292 1.00 0.00
N
-ATOM 95 H ASP A 129 19.022 -13.247 25.147 1.00 0.00
H
-ATOM 96 N ILE A 130 18.959 -14.075 21.173 1.00 0.00
N
-ATOM 97 H ILE A 130 19.901 -13.851 21.018 1.00 0.00
H
-ATOM 98 N ASP A 131 18.820 -16.212 19.435 1.00 0.00
N
-ATOM 99 H ASP A 131 19.654 -15.970 19.887 1.00 0.00
H
-ATOM 100 N GLY A 132 17.823 -18.081 20.999 1.00 0.00
N
-ATOM 101 H GLY A 132 17.979 -17.135 21.205 1.00 0.00
H
-ATOM 102 N ASP A 133 19.522 -19.854 22.160 1.00 0.00
N
-ATOM 103 H ASP A 133 19.805 -18.999 21.774 1.00 0.00
H
-ATOM 104 N GLY A 134 20.363 -19.894 24.690 1.00 0.00
N
-ATOM 105 H GLY A 134 19.922 -19.147 24.231 1.00 0.00
H
-ATOM 106 N GLN A 135 22.578 -18.639 25.569 1.00 0.00
N
-ATOM 107 H GLN A 135 22.216 -18.622 24.658 1.00 0.00
H
-ATOM 108 N VAL A 136 24.903 -15.810 25.453 1.00 0.00
N
-ATOM 109 H VAL A 136 25.455 -15.998 26.242 1.00 0.00
H
-ATOM 110 N ASN A 137 26.169 -14.354 22.564 1.00 0.00
N
-ATOM 111 H ASN A 137 25.276 -14.169 22.207 1.00 0.00
H
-ATOM 112 N TYR A 138 28.915 -12.716 20.792 1.00 0.00
N
-ATOM 113 H TYR A 138 29.410 -13.479 20.424 1.00 0.00
H
-ATOM 114 N GLU A 139 27.710 -10.884 18.919 1.00 0.00
N
-ATOM 115 H GLU A 139 27.891 -11.776 18.560 1.00 0.00
H
-ATOM 116 N GLU A 140 25.100 -10.638 20.004 1.00 0.00
N
-ATOM 117 H GLU A 140 25.457 -11.545 19.903 1.00 0.00
H
-ATOM 118 N PHE A 141 25.780 -9.669 22.524 1.00 0.00
N
-ATOM 119 H PHE A 141 26.318 -10.388 22.133 1.00 0.00
H
-ATOM 120 N VAL A 142 26.847 -7.157 21.884 1.00 0.00
N
-ATOM 121 H VAL A 142 27.129 -7.913 21.326 1.00 0.00
H
-ATOM 122 N GLN A 143 24.547 -5.834 20.825 1.00 0.00
N
-ATOM 123 H GLN A 143 24.718 -6.715 20.428 1.00 0.00
H
-ATOM 124 N MET A 144 22.890 -5.963 23.117 1.00 0.00
N
-ATOM 125 H MET A 144 23.372 -6.777 22.862 1.00 0.00
H
-ATOM 126 N MET A 145 24.354 -4.427 24.997 1.00 0.00
N
-ATOM 127 H MET A 145 24.854 -5.054 24.433 1.00 0.00
H
-ATOM 128 N THR A 146 24.889 -2.285 23.428 1.00 0.00
N
-ATOM 129 H THR A 146 24.780 -3.206 23.110 1.00 0.00
H
-ATOM 130 N ALA A 147 22.444 -1.492 22.652 1.00 0.00
N
-ATOM 131 H ALA A 147 22.644 -1.903 23.520 1.00 0.00
H
-ATOM 132 N LYS A 148 20.904 0.460 20.615 1.00 0.00
N
-ATOM 133 H LYS A 148 21.238 -0.172 19.944 1.00 0.00
H
-TER 134 CA A1001
-HETATM 135 CA CA A1000 32.561 -19.130 27.776 1.00 0.00
CA
-HETATM 136 CA CA A1001 22.610 -16.631 21.587 1.00 0.00
CA
-MASTER 0 0 2 0 0 0 0 0 135 1 0 0
-END
Added:
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_2_state/ave_pos.pdb.gz
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_2_state/ave_pos.pdb.gz?rev=23773&view=auto
==============================================================================
Binary file - no diff available.
Propchange:
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_2_state/ave_pos.pdb.gz
------------------------------------------------------------------------------
svn:mime-type = application/octet-stream
Added:
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_2_state/ave_pos_fixed_piv.pdb.gz
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_2_state/ave_pos_fixed_piv.pdb.gz?rev=23773&view=auto
==============================================================================
Binary file - no diff available.
Propchange:
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_2_state/ave_pos_fixed_piv.pdb.gz
------------------------------------------------------------------------------
svn:mime-type = application/octet-stream
Added:
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_2_state/ave_pos_true.pdb.gz
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_2_state/ave_pos_true.pdb.gz?rev=23773&view=auto
==============================================================================
Binary file - no diff available.
Propchange:
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_2_state/ave_pos_true.pdb.gz
------------------------------------------------------------------------------
svn:mime-type = application/octet-stream
Modified:
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order.bz2
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order.bz2?rev=23773&r1=23772&r2=23773&view=diff
==============================================================================
Binary files - no diff available.
Modified:
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order.log.bz2
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order.log.bz2?rev=23773&r1=23772&r2=23773&view=diff
==============================================================================
Binary files - no diff available.
Added:
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order.pdb.gz
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order.pdb.gz?rev=23773&view=auto
==============================================================================
Binary file - no diff available.
Propchange:
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order.pdb.gz
------------------------------------------------------------------------------
svn:mime-type = application/octet-stream
Added:
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order_fixed_piv.pdb.gz
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order_fixed_piv.pdb.gz?rev=23773&view=auto
==============================================================================
Binary file - no diff available.
Propchange:
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order_fixed_piv.pdb.gz
------------------------------------------------------------------------------
svn:mime-type = application/octet-stream
Added:
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order_true.pdb.gz
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order_true.pdb.gz?rev=23773&view=auto
==============================================================================
Binary file - no diff available.
Propchange:
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order_true.pdb.gz
------------------------------------------------------------------------------
svn:mime-type = application/octet-stream
r23773 - /branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_2_state/