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/
>>>>>>
>>>>>
>>>>
>>>
>
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