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CCPNMR  September 2007

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Subject:

Re: small useability suggestions

From:

Wim Vranken <[log in to unmask]>

Reply-To:

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

Date:

Wed, 19 Sep 2007 11:09:55 +0100

Content-Type:

text/plain

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text/plain (61 lines)

Hi all,

>>> 2) DataShifter. It might be possible to let DataShifter be called  
>>> from
>>> inside Analysis (I am neither the one who knows nor the one who  
>>> would have
>>> to do it). We take note. But it would still work the same way.  
>>> The problem
>>> about 'importing native format data' is that the CCPN objects are  
>>> all
>>> linked together. Importing e.g. a peaklist means you must decide  
>>> how to
>>> handle all the links that go from the peaks to something else.  
>>> That is
>>> often complicated, and it reuires special purpose handwritten  
>>> code for
>>> every single case that you decide to support.
>>
>> DataShifter & formatConverter are important for the whole CCPN  
>> effort (which is not just analysis) and is an area that certainly  
>> deserve some more attention.  As well as the means by which  
>> existing users go to transfer data between projects, they are the  
>> route in for new users - we need them to be slick & documented to  
>> the point where users do not feel really comfortable using them.   
>> NB this needs detailed and constructive feedback from the users  
>> reading this on what functionality is broken/missing and to help  
>> with documentation for specific cases.
>
> I agree with this data transfer is a very important are and it is  
> one of the first things many users will see when they start  
> analysis...
>
> My current pet peave is Link reosnances (apologies to wim!),  in  
> some cases I have to run it over an over again because my  
> resonances don't have ranges that overlap (have you ever tried  
> importing a restraint list with only long range restraints its  
> quite fun!) Also the other thing with link resonances is that often  
> i _know_ the information that it is trying very hard to deduce (ie  
> most external program only deal with single chain and if I could  
> tell analysis what chain that is it would make the import process  
> much smoother)

I completely agree - but, as I explained before, the formatConverter  
grew organically and was written to be as generic as possible so it  
could handle all kinds of imports/exports, with use-of-ease  
definitely not a priority. The current GUI is, basically, a direct  
reflection of the Python scripts underneath that do all the work - it  
takes a long time and a lot of effort to build a customised user- 
friendly interface. Unfortunately I have other priorities and don't  
have that time any more. We discussed this at a CCPN meeting  
yesterday, and it's clear we have to find a solution - this will have  
to involve someone else building this interface, and it's not clear  
how that is going to happen yet.

In the meantime I'm happy to fix bugs - however, if anyone encounters  
any when importing/exporting, the only way I'm going to to be able to  
do anything about them is if you let me know.

Bye,

Wim

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