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Dear Ed,

I did not understand your objection against solution 1 - is it because
it is not automated? You can sort the results by max. Ident so that
you can sroll down to the limit you set yourself.

Why do you think a identity cut-off was a good criterium? I usually
cut by E-value because I assume the developers of blast know what they
are doing and I have the impression they consider the E-value a better
criterium than the max. Ident.

Cheers,
Tim

P.S.: if it were a silly question you would not have posed it, would
you? ;-)

On 06/23/2012 03:13 AM, Ed Pozharski wrote:
> Silly question.
> 
> Say I want to find every structure in the PDB with the exact
> sequence or with perhaps 1-2 mutations.  I know of two ways of
> doing this.
> 
> 1. Go to NCBI BLAST and run the sequence against the PDB subset.
> The resulting list will have identities listed, so manual parsing
> is doable if there aren't too many hits.
> 
> 2. PDB and PDBe both have the search by sequence features.  Trouble
> is the default E value seems to be tailored to poor sequence
> identity (which makes sense if you looking for potential MR
> models).  Sure, I can reduce the target E value, but it's a little
> cumbersome and I have no idea what the target level should be so
> that I don't get any 50% identical sequences yet not miss
> single/double mutants.
> 
> Wouldn't it be nice if one could use the sequence identity
> cutoff/query coverage instead?  Much more comprehensible than the
> E-value.  Is there a search engine that does that? Seems like a
> fairly common need, and perhaps I just can't find on PDB website.
> 
> Thanks in advance for any suggestions,
> 
> Ed.
> 

- -- 
Dr Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen

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