Hi Wim
Ok I think that works, however I now want to work on a system where I have a region of the sequence deleted but is still a single polypeptide (i.e. 1,2,3....50,81,82.....200 i.e. residue 50 is covalently bound to residue 81). I have a molecular chain in Analysis that has this numbering and the numbering is consistant in shift lists, peak lists etc. However when I export this it goes 1,2,3....50,51,52.....170, it just numbers them sequentially.
Is there anyway I can use Format Converter to export (and later import) the shiftlists and peaklists preserving this numbering scheme? It would be really great if it used the Residue Number directly from the shiftlist.
I really wanted to number it like this to preserve the numbering system of the entire protein. I have two proteins in my project, with and without this region so the numbering is important to allow direct comparison.
Is this possible?
Cheers
Ben
-----Original Message-----
From: CcpNmr software mailing list on behalf of Wim Vranken
Sent: Thu 03/05/2007 3:38 PM
To: [log in to unmask]
Subject: Re: Format Converter : Export of renumbered shiftlists
Hi Ben,
Did you try clicking on 'Additional options', then selecting the 'Reset
chain mapping' button? It should ask you again for the sequence numbering
to use in the exported file.
Basically, the first time you export a particular chain to a particular
format, it will ask you for this sequence code 'mapping', and store it so
you don't have to re-enter it every time. If you later on want to change
this, however, the 'Reset chain mapping' should do the trick (also for
other types of data like constraint lists).
When you export a sequence, it always assumes you want to change the
mapping as well, so the other way of doing this is exporting the sequence
first with the right codes, then exporting the shift list.
Wim
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