Re: [PyMOL] Saving each residue to file

[Martin H. <ma...@bl...>]

Thats wonderful, thanks a lot.
Martin






Am 15.08.11 09:25, schrieb Thomas Holder:
> 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
>