Hi, It is now fixed. But I noticed that the Rex data from bmr6838.str in the Order_parameter saveframe is missing?
Regards, Edward On 31 March 2011 19:02, Eldon Ulrich <[email protected]> wrote: > Hi, > > Thanks for the catch. The entry has been fixed and should be available > tomorrow. > > Eldon > > On 3/31/11 3:21 AM, Edward d'Auvergne wrote: >> >> Hi, >> >> I noticed also that entry 15183 was recently updated with a fix to the >> sequence numbering. However there are still some problems with the >> residue names in one of the Order_parameter saveframes. The following >> is the diff: >> >> >> diff -urd --ignore-all-space --ignore-space-change >> --ignore-blank-lines ./bmr15183.str >> ../../../../../../bmr3.1_files/bmr15183.str >> --- ./bmr15183.str 2011-03-30 05:02:47.000000000 +0200 >> +++ ../../../../../../bmr3.1_files/bmr15183.str 2011-03-30 >> 11:47:09.000000000 +0200 >> @@ -1562,14 +1562,14 @@ >> 107 . 1 2 117 117 THR N N . 0.981 >> 0.01 1.00E-09 2.90E-10 . . . . . . . . . . >> . . . . . . . . . . . 15183 1 >> 108 . 1 2 118 118 ASP N N . 0.957 >> 0.001 1.00E-09 0.00E+00 . . . . . . . . . . >> . . . . . . . . . . . 15183 1 >> 109 . 1 2 119 119 GLU N N . 0.91 >> 0.001 1.00E-09 0.00E+00 . . . . . . . . . . >> . . . . . . . . . . . 15183 1 >> - 110 . 1 2 120 120 GLN N N . 0.967 >> 0.001 1.00E-09 0.00E+00 . . . . . . . . . . >> . . . . . . . . . . . 15183 1 >> + 110 . 1 2 120 120 GLU N N . 0.967 >> 0.001 1.00E-09 0.00E+00 . . . . . . . . . . >> . . . . . . . . . . . 15183 1 >> 111 . 1 2 121 121 VAL N N . 0.972 >> 0.003 1.00E-09 0.00E+00 . . . . . . . . . . >> . . . . . . . . . . . 15183 1 >> 112 . 1 2 122 122 ASP N N . 0.962 >> 0 1.00E-09 0.00E+00 . . . . . . . . . . >> . . . . . . . . . . . 15183 1 >> 113 . 1 2 123 123 GLU N N . 0.953 >> 0 1.00E-09 0.00E+00 . . . . . . . . . . >> . . . . . . . . . . . 15183 1 >> 114 . 1 2 125 125 ILE N N . 0.972 >> 0.002 1.00E-09 0.00E+00 . . . . . . . . . . >> . . . . . . . . . . . 15183 1 >> 115 . 1 2 126 126 ARG N N . 0.957 >> 0.002 1.00E-09 0.00E+00 . . . . . . . . . . >> . . . . . . . . . . . 15183 1 >> 116 . 1 2 127 127 GLU N N . 0.981 >> 0.009 1.00E-09 5.20E-10 . . . . . . . . . . >> . . . . . . . . . . . 15183 1 >> - 117 . 1 2 128 128 SER N N . 0.953 >> 0.009 1.00E-09 1.80E-10 . . . . . . . . . . >> . . . . . . . . . . . 15183 1 >> + 117 . 1 2 128 128 ALA N N . 0.953 >> 0.009 1.00E-09 1.80E-10 . . . . . . . . . . >> . . . . . . . . . . . 15183 1 >> 118 . 1 2 129 129 ASP N N . 0.707 >> 0.008 1.57E-11 1.00E-12 . . . . . . . . . . >> . . . . . . . . . . . 15183 1 >> 119 . 1 2 130 130 ILE N N . 0.962 >> 0.009 2.16E-11 1.06E-11 . . . . . . . . . . >> . . . . . . . . . . . 15183 1 >> 120 . 1 2 131 131 ASP N N . 0.91 >> 0.01 5.00E-14 0.00E+00 . . . . . . . . . . >> . . . . . . . . . . . 15183 1 >> >> Regards, >> >> Edward >> >> >> >> On 30 March 2011 17:28, Eldon Ulrich<[email protected]> wrote: >>> >>> Yea, I just noticed that 6474 and 6577 were not quite right as I was >>> double >>> checking the released files, not sure what happened. >>> >>> Thanks, >>> Eldon >>> >>> On 3/30/11 7:17 AM, Edward d'Auvergne wrote: >>>> >>>> Oh, the new v3.1 bmr6577.str entry is missing the S2 error as well. >>>> This data is in the v2.1 files but not the new v3.1 files. >>>> >>>> Regards, >>>> >>>> Edward >>>> >>>> >>>> >>>> On 30 March 2011 14:14, Edward d'Auvergne<[email protected]> >>>> wrote: >>>>> >>>>> Hi, >>>>> >>>>> I'm just looking at the new v3.1 entries and noticed that bmr6474.str >>>>> is missing the S2 and Rex errors. >>>>> >>>>> Regards, >>>>> >>>>> Edward >>>>> >>>>> >>>>> On 30 March 2011 11:06, Edward d'Auvergne<[email protected]> >>>>> wrote: >>>>>> >>>>>> Hi, >>>>>> >>>>>> The values should all be ps for 17041, 17046, and 17047. The numbers >>>>>> for tau_e, tau_f, and tau_s range from about 10 ps to 2000-4000 ps. >>>>>> So it can be seen from the data that the three tags in all these >>>>>> entries should be: >>>>>> >>>>>> _Order_parameter_list.Tau_e_val_units ps >>>>>> _Order_parameter_list.Tau_f_val_units ps >>>>>> _Order_parameter_list.Tau_s_val_units ps >>>>>> >>>>>> For the attachments, these are not attached to the email, but rather >>>>>> attached to the link https://gna.org/task/?6438. >>>>>> >>>>>> Regards, >>>>>> >>>>>> Edward >>>>>> >>>>>> >>>>>> On 29 March 2011 17:15, Eldon Ulrich<[email protected]> wrote: >>>>>>> >>>>>>> Hi, >>>>>>> >>>>>>> I am finishing the edits on the first batch of v2.1 and v3.1 files >>>>>>> today. In >>>>>>> looking at the related entries 17041, 17046, and 17047, one has a tau >>>>>>> e >>>>>>> value of ns (17041) and the others are ps (17046 and 17047). I >>>>>>> changed >>>>>>> 17041 >>>>>>> to ps, although I did not see this change in your list. Although, I >>>>>>> may >>>>>>> have >>>>>>> missed the suggested change. Could you please review these three >>>>>>> entries >>>>>>> once they are released, hopefully tomorrow or Thursday. >>>>>>> >>>>>>> Also, This email did not seem to have the attachments. I have a >>>>>>> feeling >>>>>>> I >>>>>>> may have lost a followup email, but could you resend the attachments. >>>>>>> >>>>>>> I will start to look at the blacklisted entries after finishing the >>>>>>> less >>>>>>> offensive problems. >>>>>>> >>>>>>> Thanks, >>>>>>> Eldon >>>>>>> >>>>>>> On 3/24/11 5:43 AM, Edward d Auvergne wrote: >>>>>>>> >>>>>>>> Follow-up Comment #10, task #6438 (project relax): >>>>>>>> >>>>>>>> This set of diffs for the v2.1 and v3.1 files now includes the >>>>>>>> relaxation >>>>>>>> data BMRB entries (with no model-free data). The following entries >>>>>>>> have >>>>>>>> been >>>>>>>> blacklisted, as relax cannot use them: >>>>>>>> >>>>>>>> # The blacklist. >>>>>>>> blacklist = [] # Init. >>>>>>>> blacklist = blacklist + ['bmr16933.str'] # Rubbish relxn2.2 >>>>>>>> data! >>>>>>>> blacklist = blacklist + ['bmr4697.str'] # Unknown spectrometer >>>>>>>> frequency. >>>>>>>> blacklist = blacklist + ['bmr5520.str', 'bmr5521.str'] # Entity >>>>>>>> problem >>>>>>>> with 2 molecules. >>>>>>>> blacklist = blacklist + ['bmr5715.str', 'bmr6758.str', >>>>>>>> 'bmr16639.str'] >>>>>>>> # >>>>>>>> Sequence corruption. >>>>>>>> blacklist = blacklist + ['bmr6332.str', 'bmr7205.str'] # Totally >>>>>>>> mangled >>>>>>>> sequence! >>>>>>>> >>>>>>>> Most of these require work on the BMRB side. The model-free entries >>>>>>>> read >>>>>>>> into relax include: >>>>>>>> >>>>>>>> 4096, 4245, 4267, 4364, 4365, 4366, 4390, 4689, 4970, 5153, 5154, >>>>>>>> 5330, >>>>>>>> 5331, >>>>>>>> 5548, 5549, 5550, 5808, 5841, 5991, 6243, 6466, 6470, 6474, 6577, >>>>>>>> 6838, >>>>>>>> 7126, >>>>>>>> 7139, 7219, 15097, 15144, 15183, 15184, 15185, 15186, 15187, 15188, >>>>>>>> 15191, >>>>>>>> 15230, 15445, 15451, 15536, 15562, 15910, 16392, 16925, 16931, >>>>>>>> 17010, >>>>>>>> 17012, >>>>>>>> 17013, 17041, 17046, 17047, 17069 >>>>>>>> >>>>>>>> The purely relaxation data entries read into relax are: >>>>>>>> >>>>>>>> 4376, 4671, 4762, 4763, 4764, 4801, 4870, 5076, 5079, 5080, 5131, >>>>>>>> 5272, >>>>>>>> 5505, >>>>>>>> 5518, 5519, 5569, 5687, 5707, 5720, 5746, 5762, 5801, 5818, 5839, >>>>>>>> 5858, >>>>>>>> 5995, >>>>>>>> 5996, 6060, 6092, 6182, 6494, 6495, 6579, 6880, 6881, 6899, 7021, >>>>>>>> 7035, >>>>>>>> 7036, >>>>>>>> 7056, 7088, 7112, 7190, 7208, 7288, 7414, 7415, 7432, 15014, 15064, >>>>>>>> 15065, >>>>>>>> 15066, 15067, 15252, 15254, 15255, 15364, 15408, 15437, 15441, >>>>>>>> 15481, >>>>>>>> 15486, >>>>>>>> 15521, 15541, 15578, 15650, 15655, 15703, 15708, 15728, 15766, >>>>>>>> 15793, >>>>>>>> 15795, >>>>>>>> 15830, 15831, 15832, 15852, 15923, 15975, 15989, 16033, 16034, >>>>>>>> 16069, >>>>>>>> 16234, >>>>>>>> 16342, 16360, 16426, 16480, 16482, 16483, 16485, 16523, 16657, >>>>>>>> 16659, >>>>>>>> 16845, >>>>>>>> 16904, 16907, 17018, 17080, 17263, 17266, 17308 >>>>>>>> >>>>>>>> The first attached file is the v2.1 diff, the second is the v3.1 >>>>>>>> diff: >>>>>>>> >>>>>>>> (file #12700, file #12701) >>>>>>>> _______________________________________________________ >>>>>>>> >>>>>>>> Additional Item Attachment: >>>>>>>> >>>>>>>> File name: diff Size:192 KB >>>>>>>> File name: diff Size:356 KB >>>>>>>> >>>>>>>> >>>>>>>> _______________________________________________________ >>>>>>>> >>>>>>>> Reply to this item at: >>>>>>>> >>>>>>>> <http://gna.org/task/?6438> >>>>>>>> >>>>>>>> _______________________________________________ >>>>>>>> Message sent via/by Gna! >>>>>>>> http://gna.org/ >>>>>>>> >>>>>>> >>>>>> >>>>> >>> > _______________________________________________ relax (http://nmr-relax.com) This is the relax-devel mailing list [email protected] To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-devel
