Hi Martin,
there are for sure several ways to achieve this, one might be using the
"pop" command (there is no PyMOLWiki page, but "help pop" gives a quick
example how to use it).
fetch 2xwu, async=0
select _justca, byca 2xwu
python
while cmd.pop("_tmp", "_justca"):
cmd.iterate("_tmp", "stored.x='res-'+chain+'-'+resn+resi")
cmd.save(stored.x + ".pdb", "byres _tmp")
python end
delete _justca _tmp
Hope that helps.
Cheers,
Thomas
On 08/15/2011 09:14 AM, Martin Hediger wrote:
> Dear List
> I was wondering if there could be a way of having every residue of a
> protein structure being saved to a separate file. How could this be done?
> I believe the 'iterate' method might be useful in combination with the
> 'byres' identifier, but I havent figured out how to combine them in the
> right way.
> It would be great if the residues could be saved by increasing residue
> number, something like
> res-a001
> res-f002
> where 'a' and 'f' where the residue type and the number is the residue
> number in the chain.
>
> Any hints are very welcome.
> Martin
--
Thomas Holder
MPI for Developmental Biology
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