Hello,
The renumbering of chain B is easy enough. In the Molecule --> Molecules
dialog click on the chain B row in the top table and then in the bottom
table change the Start Seq Number from 118 to 1564.
The renumbering of chain A is harder because we don't have a dialog in
place to allow 0 to be skipped. So I've just written a macro to do that,
which I've added to the 2.2.2 release.
Once you update the 2.2.2 release and restart Analysis then open the Macro
--> Organise Macros dialog. In the Macros tab click Add Macro at the
bottom. Then navigate to the
ccpnmr/ccpnmr2.2/python/ccpnmr/analysis/macros directory. Click on
RenumberChainSeqCodes.py in the top table and then in the bottom table
click on renumberChainSeqCodes and then click on Load Macro.
That will put it into the bottom row of the macro table. Click on that
row and then click on the Run button.
I tested the macro and it seemed to work ok but there might be a bug in it
somewhere (but it is pretty simple).
If you have an earlier release (and it looks like you might be using
2.1.5) then let me know and I'll have to cobble something together for
you.
Wayne
On Wed, 3 Oct 2012, Blatter Markus wrote:
>
> Hi,
>
>
>
> I have imported 20 models of a protein protein complex including two zinc coordination sites. In
> addition I imported chemical shifts and a restraint list, all successfully linked.
>
> Chain A proteinA ą resnumber 1-117
>
> Chain B protein ą resnumber 118-181
>
> Chain C zinc 1 ą resnumber 182
>
> Chain D zinc 2 ą resnumber 183
>
>
>
> Native numbering for proteinA is -3 to 114 (zero aversion according pdb guidelines ą no 0 residue)
>
> Native numbering for proteinB is 1564 to 1627
>
>
>
> How can I renumber all the models , shifts and restraints accordingly and keep linking correct for
> submission?
>
>
>
> Many thanks in advance
>
> Markus Blatter
>
>
>
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