Author: bugman
Date: Tue Feb 10 14:34:40 2009
New Revision: 8769
URL: http://svn.gna.org/viewcvs/relax?rev=8769&view=rev
Log:
Decreased the synthetic alignment by half to bring the max PCS into the 3 ppm
range.
Modified:
1.3/test_suite/shared_data/align_data/CaM/generate_data.py
1.3/test_suite/shared_data/align_data/CaM/synth_pcs
1.3/test_suite/shared_data/align_data/CaM/synth_rdc
Modified: 1.3/test_suite/shared_data/align_data/CaM/generate_data.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/align_data/CaM/generate_data.py?rev=8769&r1=8768&r2=8769&view=diff
==============================================================================
--- 1.3/test_suite/shared_data/align_data/CaM/generate_data.py (original)
+++ 1.3/test_suite/shared_data/align_data/CaM/generate_data.py Tue Feb 10
14:34:40 2009
@@ -33,7 +33,7 @@
tensor = convert_tensor(C)
# Scale to become a realistic alignment tensor (Pr matrix elements between 0
and 1, and small tensor).
-tensor = tensor / 1000.0
+tensor = tensor / 2000.0
# The dipolar constant.
h = 6.62606876e-34 # Planck constant.
Modified: 1.3/test_suite/shared_data/align_data/CaM/synth_pcs
URL:
http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/align_data/CaM/synth_pcs?rev=8769&r1=8768&r2=8769&view=diff
==============================================================================
--- 1.3/test_suite/shared_data/align_data/CaM/synth_pcs (original)
+++ 1.3/test_suite/shared_data/align_data/CaM/synth_pcs Tue Feb 10 14:34:40
2009
@@ -1,59 +1,59 @@
-bax_C_1J7P_N_H_Ca_mol1 82 GLU 1 N
2.0522550472
-bax_C_1J7P_N_H_Ca_mol1 83 GLU 15 N
1.5166456929
-bax_C_1J7P_N_H_Ca_mol1 83 GLU 24 H
1.3075483493
-bax_C_1J7P_N_H_Ca_mol1 84 GLU 30 N
1.7682061383
-bax_C_1J7P_N_H_Ca_mol1 84 GLU 39 H
1.6733124056
-bax_C_1J7P_N_H_Ca_mol1 85 ILE 45 N
3.775762364
-bax_C_1J7P_N_H_Ca_mol1 85 ILE 53 H
3.3129061664
-bax_C_1J7P_N_H_Ca_mol1 86 ARG 75 H
3.6979682065
-bax_C_1J7P_N_H_Ca_mol1 111 ASN 458 N
-2.2286141709
-bax_C_1J7P_N_H_Ca_mol1 112 LEU 472 N
-1.0572617584
-bax_C_1J7P_N_H_Ca_mol1 112 LEU 480 H
-1.3520132198
-bax_C_1J7P_N_H_Ca_mol1 113 GLY 491 N
-0.73993904107
-bax_C_1J7P_N_H_Ca_mol1 113 GLY 495 H
-1.0144041138
-bax_C_1J7P_N_H_Ca_mol1 114 GLU 498 N
-0.79778978947
-bax_C_1J7P_N_H_Ca_mol1 114 GLU 507 H
-0.82474260015
-bax_C_1J7P_N_H_Ca_mol1 115 LYS 513 N
-1.4262684563
-bax_C_1J7P_N_H_Ca_mol1 115 LYS 522 H
-1.172840276
-bax_C_1J7P_N_H_Ca_mol1 116 LEU 535 N
-2.4321637918
-bax_C_1J7P_N_H_Ca_mol1 116 LEU 543 H
-2.7980683138
-bax_C_1J7P_N_H_Ca_mol1 117 THR 554 N
-2.8168431081
-bax_C_1J7P_N_H_Ca_mol1 117 THR 561 H
-2.4014783426
-bax_C_1J7P_N_H_Ca_mol1 118 ASP 568 N
-4.2785084387
-bax_C_1J7P_N_H_Ca_mol1 118 ASP 576 H
-4.0331453192
-bax_C_1J7P_N_H_Ca_mol1 119 GLU 580 N
-3.524688597
-bax_C_1J7P_N_H_Ca_mol1 119 GLU 589 H
-3.2875585033
-bax_C_1J7P_N_H_Ca_mol1 120 GLU 595 N
-2.4831665034
-bax_C_1J7P_N_H_Ca_mol1 120 GLU 604 H
-2.6017530736
-bax_C_1J7P_N_H_Ca_mol1 121 VAL 610 N
-3.1744782211
-bax_C_1J7P_N_H_Ca_mol1 121 VAL 617 H
-3.6120662931
-bax_C_1J7P_N_H_Ca_mol1 122 ASP 626 N
-3.8127280989
-bax_C_1J7P_N_H_Ca_mol1 122 ASP 634 H
-3.9635575998
-bax_C_1J7P_N_H_Ca_mol1 123 GLU 638 N
-1.7052987333
-bax_C_1J7P_N_H_Ca_mol1 123 GLU 647 H
-1.9666435518
-bax_C_1J7P_N_H_Ca_mol1 124 MET 653 N
-0.26741303374
-bax_C_1J7P_N_H_Ca_mol1 124 MET 661 H
-0.83525781207
-bax_C_1J7P_N_H_Ca_mol1 126 ARG 689 N
-0.076424363842
-bax_C_1J7P_N_H_Ca_mol1 126 ARG 700 H
-0.75972196169
-bax_C_1J7P_N_H_Ca_mol1 127 GLU 713 N
1.2716431464
-bax_C_1J7P_N_H_Ca_mol1 127 GLU 722 H
0.96692964357
-bax_C_1J7P_N_H_Ca_mol1 128 ALA 728 N
3.5132480188
-bax_C_1J7P_N_H_Ca_mol1 128 ALA 733 H
3.1389304444
-bax_C_1J7P_N_H_Ca_mol1 130 ILE 750 N
3.9828999745
-bax_C_1J7P_N_H_Ca_mol1 130 ILE 758 H
5.0633780214
-bax_C_1J7P_N_H_Ca_mol1 131 ASP 769 N
2.9119881702
-bax_C_1J7P_N_H_Ca_mol1 131 ASP 777 H
3.7322856656
-bax_C_1J7P_N_H_Ca_mol1 132 GLY 781 N
1.3000617593
-bax_C_1J7P_N_H_Ca_mol1 132 GLY 785 H
1.8338089831
-bax_C_1J7P_N_H_Ca_mol1 143 GLN 939 N
6.4192458775
-bax_C_1J7P_N_H_Ca_mol1 143 GLN 948 H
7.1095053302
-bax_C_1J7P_N_H_Ca_mol1 144 MET 956 N
6.1158616365
-bax_C_1J7P_N_H_Ca_mol1 144 MET 964 H
7.1866856235
-bax_C_1J7P_N_H_Ca_mol1 145 MET 973 N
5.8124033743
-bax_C_1J7P_N_H_Ca_mol1 145 MET 981 H
6.7501152559
-bax_C_1J7P_N_H_Ca_mol1 146 THR 990 N
4.3697111859
-bax_C_1J7P_N_H_Ca_mol1 146 THR 997 H
4.9539604047
-bax_C_1J7P_N_H_Ca_mol1 147 ALA 1004 N
3.2932258582
-bax_C_1J7P_N_H_Ca_mol1 147 ALA 1009 H
3.5439239958
-bax_C_1J7P_N_H_Ca_mol1 148 LYS 1014 N
2.2747753471
-bax_C_1J7P_N_H_Ca_mol1 148 LYS 1022 H
2.4364903057
+bax_C_1J7P_N_H_Ca_mol1 82 GLU 1 N
1.0261275236
+bax_C_1J7P_N_H_Ca_mol1 83 GLU 15 N
0.75832284646
+bax_C_1J7P_N_H_Ca_mol1 83 GLU 24 H
0.65377417467
+bax_C_1J7P_N_H_Ca_mol1 84 GLU 30 N
0.88410306916
+bax_C_1J7P_N_H_Ca_mol1 84 GLU 39 H
0.83665620282
+bax_C_1J7P_N_H_Ca_mol1 85 ILE 45 N
1.887881182
+bax_C_1J7P_N_H_Ca_mol1 85 ILE 53 H
1.6564530832
+bax_C_1J7P_N_H_Ca_mol1 86 ARG 75 H
1.8489841033
+bax_C_1J7P_N_H_Ca_mol1 111 ASN 458 N
-1.1143070855
+bax_C_1J7P_N_H_Ca_mol1 112 LEU 472 N
-0.52863087918
+bax_C_1J7P_N_H_Ca_mol1 112 LEU 480 H
-0.67600660991
+bax_C_1J7P_N_H_Ca_mol1 113 GLY 491 N
-0.36996952054
+bax_C_1J7P_N_H_Ca_mol1 113 GLY 495 H
-0.50720205688
+bax_C_1J7P_N_H_Ca_mol1 114 GLU 498 N
-0.39889489474
+bax_C_1J7P_N_H_Ca_mol1 114 GLU 507 H
-0.41237130008
+bax_C_1J7P_N_H_Ca_mol1 115 LYS 513 N
-0.71313422816
+bax_C_1J7P_N_H_Ca_mol1 115 LYS 522 H
-0.58642013802
+bax_C_1J7P_N_H_Ca_mol1 116 LEU 535 N
-1.2160818959
+bax_C_1J7P_N_H_Ca_mol1 116 LEU 543 H
-1.3990341569
+bax_C_1J7P_N_H_Ca_mol1 117 THR 554 N
-1.4084215541
+bax_C_1J7P_N_H_Ca_mol1 117 THR 561 H
-1.2007391713
+bax_C_1J7P_N_H_Ca_mol1 118 ASP 568 N
-2.1392542193
+bax_C_1J7P_N_H_Ca_mol1 118 ASP 576 H
-2.0165726596
+bax_C_1J7P_N_H_Ca_mol1 119 GLU 580 N
-1.7623442985
+bax_C_1J7P_N_H_Ca_mol1 119 GLU 589 H
-1.6437792517
+bax_C_1J7P_N_H_Ca_mol1 120 GLU 595 N
-1.2415832517
+bax_C_1J7P_N_H_Ca_mol1 120 GLU 604 H
-1.3008765368
+bax_C_1J7P_N_H_Ca_mol1 121 VAL 610 N
-1.5872391105
+bax_C_1J7P_N_H_Ca_mol1 121 VAL 617 H
-1.8060331465
+bax_C_1J7P_N_H_Ca_mol1 122 ASP 626 N
-1.9063640494
+bax_C_1J7P_N_H_Ca_mol1 122 ASP 634 H
-1.9817787999
+bax_C_1J7P_N_H_Ca_mol1 123 GLU 638 N
-0.85264936663
+bax_C_1J7P_N_H_Ca_mol1 123 GLU 647 H
-0.98332177588
+bax_C_1J7P_N_H_Ca_mol1 124 MET 653 N
-0.13370651687
+bax_C_1J7P_N_H_Ca_mol1 124 MET 661 H
-0.41762890604
+bax_C_1J7P_N_H_Ca_mol1 126 ARG 689 N
-0.038212181921
+bax_C_1J7P_N_H_Ca_mol1 126 ARG 700 H
-0.37986098085
+bax_C_1J7P_N_H_Ca_mol1 127 GLU 713 N
0.63582157322
+bax_C_1J7P_N_H_Ca_mol1 127 GLU 722 H
0.48346482178
+bax_C_1J7P_N_H_Ca_mol1 128 ALA 728 N
1.7566240094
+bax_C_1J7P_N_H_Ca_mol1 128 ALA 733 H
1.5694652222
+bax_C_1J7P_N_H_Ca_mol1 130 ILE 750 N
1.9914499872
+bax_C_1J7P_N_H_Ca_mol1 130 ILE 758 H
2.5316890107
+bax_C_1J7P_N_H_Ca_mol1 131 ASP 769 N
1.4559940851
+bax_C_1J7P_N_H_Ca_mol1 131 ASP 777 H
1.8661428328
+bax_C_1J7P_N_H_Ca_mol1 132 GLY 781 N
0.65003087965
+bax_C_1J7P_N_H_Ca_mol1 132 GLY 785 H
0.91690449156
+bax_C_1J7P_N_H_Ca_mol1 143 GLN 939 N
3.2096229388
+bax_C_1J7P_N_H_Ca_mol1 143 GLN 948 H
3.5547526651
+bax_C_1J7P_N_H_Ca_mol1 144 MET 956 N
3.0579308183
+bax_C_1J7P_N_H_Ca_mol1 144 MET 964 H
3.5933428117
+bax_C_1J7P_N_H_Ca_mol1 145 MET 973 N
2.9062016872
+bax_C_1J7P_N_H_Ca_mol1 145 MET 981 H
3.3750576279
+bax_C_1J7P_N_H_Ca_mol1 146 THR 990 N
2.1848555929
+bax_C_1J7P_N_H_Ca_mol1 146 THR 997 H
2.4769802024
+bax_C_1J7P_N_H_Ca_mol1 147 ALA 1004 N
1.6466129291
+bax_C_1J7P_N_H_Ca_mol1 147 ALA 1009 H
1.7719619979
+bax_C_1J7P_N_H_Ca_mol1 148 LYS 1014 N
1.1373876736
+bax_C_1J7P_N_H_Ca_mol1 148 LYS 1022 H
1.2182451528
Modified: 1.3/test_suite/shared_data/align_data/CaM/synth_rdc
URL:
http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/align_data/CaM/synth_rdc?rev=8769&r1=8768&r2=8769&view=diff
==============================================================================
--- 1.3/test_suite/shared_data/align_data/CaM/synth_rdc (original)
+++ 1.3/test_suite/shared_data/align_data/CaM/synth_rdc Tue Feb 10 14:34:40
2009
@@ -1,29 +1,29 @@
-bax_C_1J7P_N_H_Ca_mol1 83 GLU 15 N
11.89830919169
-bax_C_1J7P_N_H_Ca_mol1 84 GLU 30 N
28.30586961461
-bax_C_1J7P_N_H_Ca_mol1 85 ILE 45 N
14.96399570266
-bax_C_1J7P_N_H_Ca_mol1 111 ASN 458 N
-7.21353309308
-bax_C_1J7P_N_H_Ca_mol1 112 LEU 472 N
-4.44603841486
-bax_C_1J7P_N_H_Ca_mol1 113 GLY 491 N
24.32916708551
-bax_C_1J7P_N_H_Ca_mol1 114 GLU 498 N
-19.26985407086
-bax_C_1J7P_N_H_Ca_mol1 115 LYS 513 N
4.96896615243
-bax_C_1J7P_N_H_Ca_mol1 116 LEU 535 N
-12.36177914022
-bax_C_1J7P_N_H_Ca_mol1 117 THR 554 N
27.85629058787
-bax_C_1J7P_N_H_Ca_mol1 118 ASP 568 N
5.37571392680
-bax_C_1J7P_N_H_Ca_mol1 119 GLU 580 N
-10.00385730346
-bax_C_1J7P_N_H_Ca_mol1 120 GLU 595 N
8.67371376258
-bax_C_1J7P_N_H_Ca_mol1 121 VAL 610 N
13.35249322586
-bax_C_1J7P_N_H_Ca_mol1 122 ASP 626 N
-9.97518445174
-bax_C_1J7P_N_H_Ca_mol1 123 GLU 638 N
-4.97964752131
-bax_C_1J7P_N_H_Ca_mol1 124 MET 653 N
8.28254772475
-bax_C_1J7P_N_H_Ca_mol1 126 ARG 689 N
-11.72384586227
-bax_C_1J7P_N_H_Ca_mol1 127 GLU 713 N
1.53470374113
-bax_C_1J7P_N_H_Ca_mol1 128 ALA 728 N
8.11109525199
-bax_C_1J7P_N_H_Ca_mol1 130 ILE 750 N
-23.13939224259
-bax_C_1J7P_N_H_Ca_mol1 131 ASP 769 N
-3.53254101307
-bax_C_1J7P_N_H_Ca_mol1 132 GLY 781 N
9.14070770606
-bax_C_1J7P_N_H_Ca_mol1 143 GLN 939 N
9.50256930008
-bax_C_1J7P_N_H_Ca_mol1 144 MET 956 N
14.87714715497
-bax_C_1J7P_N_H_Ca_mol1 145 MET 973 N
-4.84492366401
-bax_C_1J7P_N_H_Ca_mol1 146 THR 990 N
7.74541622099
-bax_C_1J7P_N_H_Ca_mol1 147 ALA 1004 N
14.54129620553
-bax_C_1J7P_N_H_Ca_mol1 148 LYS 1014 N
-6.79467222155
+bax_C_1J7P_N_H_Ca_mol1 83 GLU 15 N
5.94915459584
+bax_C_1J7P_N_H_Ca_mol1 84 GLU 30 N
14.15293480730
+bax_C_1J7P_N_H_Ca_mol1 85 ILE 45 N
7.48199785133
+bax_C_1J7P_N_H_Ca_mol1 111 ASN 458 N
-3.60676654654
+bax_C_1J7P_N_H_Ca_mol1 112 LEU 472 N
-2.22301920743
+bax_C_1J7P_N_H_Ca_mol1 113 GLY 491 N
12.16458354276
+bax_C_1J7P_N_H_Ca_mol1 114 GLU 498 N
-9.63492703543
+bax_C_1J7P_N_H_Ca_mol1 115 LYS 513 N
2.48448307621
+bax_C_1J7P_N_H_Ca_mol1 116 LEU 535 N
-6.18088957011
+bax_C_1J7P_N_H_Ca_mol1 117 THR 554 N
13.92814529393
+bax_C_1J7P_N_H_Ca_mol1 118 ASP 568 N
2.68785696340
+bax_C_1J7P_N_H_Ca_mol1 119 GLU 580 N
-5.00192865173
+bax_C_1J7P_N_H_Ca_mol1 120 GLU 595 N
4.33685688129
+bax_C_1J7P_N_H_Ca_mol1 121 VAL 610 N
6.67624661293
+bax_C_1J7P_N_H_Ca_mol1 122 ASP 626 N
-4.98759222587
+bax_C_1J7P_N_H_Ca_mol1 123 GLU 638 N
-2.48982376065
+bax_C_1J7P_N_H_Ca_mol1 124 MET 653 N
4.14127386237
+bax_C_1J7P_N_H_Ca_mol1 126 ARG 689 N
-5.86192293114
+bax_C_1J7P_N_H_Ca_mol1 127 GLU 713 N
0.76735187057
+bax_C_1J7P_N_H_Ca_mol1 128 ALA 728 N
4.05554762600
+bax_C_1J7P_N_H_Ca_mol1 130 ILE 750 N
-11.56969612129
+bax_C_1J7P_N_H_Ca_mol1 131 ASP 769 N
-1.76627050654
+bax_C_1J7P_N_H_Ca_mol1 132 GLY 781 N
4.57035385303
+bax_C_1J7P_N_H_Ca_mol1 143 GLN 939 N
4.75128465004
+bax_C_1J7P_N_H_Ca_mol1 144 MET 956 N
7.43857357748
+bax_C_1J7P_N_H_Ca_mol1 145 MET 973 N
-2.42246183201
+bax_C_1J7P_N_H_Ca_mol1 146 THR 990 N
3.87270811049
+bax_C_1J7P_N_H_Ca_mol1 147 ALA 1004 N
7.27064810276
+bax_C_1J7P_N_H_Ca_mol1 148 LYS 1014 N
-3.39733611077
r8769 - in /1.3/test_suite/shared_data/align_data/CaM: generate_data.py synth_pcs synth_rdc