Hello,
There is a non-obvious step you must take first, and that is to create an Entry and that is most easily done via the ECI interface, which can be reached inside Analysis via the Structure --> ECI dialog. After you create an Entry you can then proceed (I hope!). (The ECI allows NMR-STAR 3.1 export, but beware there are a fair few bugs in the interface. The Format Converter does NMR-Star 2.1.1, if I remember correctly.)
Wayne
On 27 Oct 2014, at 14:59, Aswani Kumar Kancherla wrote:
> Hello Dr. Wayne,
>
> thanks for the reply. However, I have another question to ask.
>
> I am trying to use format converter to export chemical shift information to
> NMR-STAR format. However, I get the following error message in a pop-up.
>
> "Could not set up export menu for project: no
> 'project.currentNmrEntryStore.sortedEntries()' information available". What does
> this mean?
>
> Many thanks for your time.
>
> with warm regards,
> Aswani
>
>
>> Hello,
>>
>> You can definitely rename the top-level ccpnmr directory, I do that all the time
>> (I have N versions on my computer, so I do this all the time). (It might not be
>> on your PATH any more, but likely that would be what you wanted.)
>>
>> On the doc front, I think that help page never existed (nor for most of the
>> Format Converter dialogs). So likely that button should just be grayed out.
>>
>> Wayne
>>
>> On 27 Oct 2014, at 13:45, Aswani Kumar Kancherla wrote:
>>
>>> Hello Dr. Wayne,
>>>
>>> many thanks for the prompt reply.
>>>
>>> I figured out that I could also go to "MainMenu:: Resonances" and then
>>> re-assign
>>> the Hba and Hbb to appropriate stereospecific assignments.
>>>
>>> As I have mentioned in my previous mail, I am not able to access some of the
>>> help pages. Where could be the problem? Also, kindly clarify if what I did was
>>> right for updating the analysis version i.e. I renamed the "ccpnmr" directory
>>> containing the old version to "ccpnmr_x.y" and uncompressed the downloaded
>>> file
>>> to "ccpnmr".
>>>
>>> with regards,
>>> Aswani
>>>
>>>
>>>> Hello,
>>>>
>>>> You can stereospecifically assign a peak (dimension) by clicking on the peak
>>>> in
>>>> the peak table and clicking on the Assign button (or clicking on a peak in a
>>>> spectrum display window and hit the 'a' key). Then (in the Assignment:
>>>> Assignment Panel dialog) click on the relevant Hba (or whatever) in the
>>>> relevant
>>>> dimension table at the left, then click the Re-assign **** button (****
>>>> specific
>>>> to what you are doing). In that (the Molecule: Atom Browser dialog) you can
>>>> click on Hb2 (or whatever), although you need to make sure that
>>>> "stereospecific"
>>>> is checked in the Options tab in order for this option to be shown. That
>>>> should
>>>> do it.
>>>>
>>>> Wayne
>>>>
>>>> On 27 Oct 2014, at 07:28, Aswani Kumar wrote:
>>>>
>>>>> Hello Analysis Developers,
>>>>>
>>>>> I am using Analysis Version 2.4 release 0 on Linux SuSe11.4.
>>>>>
>>>>> I have assigned the H-beta methylene protons non-stereopspecifically as Hba
>>>>> and Hbb. Now I have the information to assign them stereospecifically (
>>>>> using
>>>>> 3D-HNHB and HN(CO)HB). What is the best way to change the non-stereospecific
>>>>> assignments to stereopsecific assignmets?
>>>>>
>>>>> I tried to set the status of prochiral protons using "Format Converter ->
>>>>> Process -> Check Stereo Status Prochiral". The following error came up
>>>>> (traceback is attached at the end of the e-mail).
>>>>>
>>>>> I am also not able to access the help page for this pop-up window by
>>>>> clicking
>>>>> the question mark on the right bottom of the pop-up window. The designated
>>>>> html file is not there at the appropriate location. The missing html help
>>>>> file is supposed to be at the location
>>>>> "/home/nmrware/ccpnmr/ccpnmr2.4/python/ccpnmr/format/doc/ProchiralStatus.html"
>>>>>
>>>>> Many thanks in advance.
>>>>>
>>>>> with regards,
>>>>> Aswani Kumar
>>>>>
>>>>>
>>>>> PS: I have recently upgraded Analysis from Version 2.1 to 2.4. The way I did
>>>>> this was: (1) I downloaded tar file for the precompiled binaries of latest
>>>>> version. (2). Renamed the old ccpnmr folder to ccpnmr_2.1 (3). untarred the
>>>>> new file
>>>>>
>>>>>
>>>>> traceback
>>>>> =============================================================================================================================
>>>>> Exception in Tkinter callback
>>>>> Traceback (most recent call last):
>>>>> File "/home/nmrware/ccpnmr/python2.6/lib/python2.6/lib-tk/Tkinter.py", line
>>>>> 1410, in __call__
>>>>> return self.func(*args)
>>>>> File
>>>>> "/home/nmrware/ccpnmr/ccpnmr2.4/python/ccpnmr/format/gui/ProchiralStatusPopup.py",
>>>>> line 424, in setStereo
>>>>> (stereoStatus,stereoStatusChanged,resChanged,resonances) =
>>>>> self.chainResonancesDict[self.resParent][chain][i]
>>>>> =============================================================================================================================
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>>>
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