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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