Hello there,
i am trying to import nmrview peak lists; it so happens that my
sequence numbering starts from 320; but the peaklists do not have
complete assignments; the most n-terminal assignment is for residue 327.
now, there were quite a few error messages including "jump" in sequence.
so i tried the python commands in the window in which 'analysis' was fired
up and the commands executed w/o any complaints. but i still got the
error messages such as "jump" in sequence numbering; more importantly,
the linked resonances all had internal renumberings from ccpn;
lastly, i also have what we call as "pseudo" residues; i.e. for those
peaks, let us say in trhncacb3d, for which we know exists a peak in
trosy, trhnco and/or thrncocacb3d, the nmrview peak assignment boxes have
been filled w/ let's say 8.hn - 7.cb - 8.ca (but the real sequence
starts only from 320); is it better for me to drop these pseudo
resonances?
or is it best to drop all peaklists and start from scratch in ccpn?
thanks a lot in anticipation,
best regards,
-chandraShekar
On Fri, 27 Apr 2007, Ben Goult wrote:
> Hi Wayne
>
>>
>>>>> molSystem = ... # similar to the above
>>>>> chain = molSystem.findFirstChain(code='A') # if the A chain
>>>>> residues = chain.sortedResidues()[23:] # if you want to renumber 23+
>> # but remember that 23 has seqId 23+1=24 so be careful
>>>>> for residue in residues:
>> ... residue.seqCode = residue.seqCode + 2
>> ...
>>>>>
>
> This python code works great.
>
> Thanks for all your help
>
> Cheers
>
> Ben
>
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