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Subject:

Re: shiftlist

From:

Jolyon Claridge <[log in to unmask]>

Reply-To:

CcpNmr software mailing list <[log in to unmask]>

Date:

Fri, 7 Sep 2007 11:16:05 +1200

Content-Type:

text/plain

Parts/Attachments:

Parts/Attachments

text/plain (48 lines)

Hi,

when I run Copy Chain Assignments it moves the assignments across to the 
new system rather than copies, is this intended or have I done something 
wrong? Also I notice it takes all the shifts from the shiftlist 
regardless of which experiments are selected, is it possible to include 
an option to only take shifts related to a particular experiment?

cheers
Jo

Tim Stevens wrote:
>> Is it possible to transfer one of the shiftlists from one molecular
>> system to another?
>>     
>
> In addition to Brian's script which does everything nicely in one fell
> swoop, you could also take a look at the Analysis option:
>
>  Molecules::Copy Chain Assignments
>
> The idea is that you can transfer assignments on a per chain basis,
> including from one molSystem to another. You get to choose from which
> subset of experiments the resonance assignments are transferred and which
> are left unaltered.
>
> Accordingly, if you transfer assignments to a new molSystem for only those
> experiments that use a separate shift list (setup for that new molSystem),
> then effectively you would have populated a new shift list using peak
> positions that relate only to the new molSystem.
>
> T.
>
> -------------------------------------------------------------------------------
>  Dr Tim Stevens			Email: [log in to unmask]
>  Department of Biochemistry            [log in to unmask]
>  University of Cambridge        Phone: +44 1223 766018 (office)
>  80 Tennis Court Road	               +44 7816 338275 (mobile)
>  Old Addenbrooke's Site 	       +44 1223 364613 (home)
>  Cambridge  CB2 1GA	   	WWWeb: http://www.bio.cam.ac.uk/~tjs23
>  United Kingdom 		       http://www.pantonia.co.uk
> -------------------------------------------------------------------------------
> ------ +NH3CH(CH(CH3)OH)C(O)NHCH(CH(CH3)CH2CH3)C(O)NHCH(CH2CH2SCH3)CO2- -------
> -------------------------------------------------------------------------------
>
> .
>
>   

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