Hi Troels,
I've been using
http://www.pymolwiki.org/index.php/FindSurfaceResidues
at some point. Seems to work well enough.
Otherwise you could go through the PISA server at
http://www.ebi.ac.uk/msd-srv/prot_int/pistart.html
But I don't remember how exactly I would get the surface residues out from
that.
mvh
Folmer
2012/10/31 Troels Emtekær Linnet <tlin...@gmail.com>
> Hi Pymolers.
>
> How would you get a list of surface residues the fastest way?
>
> Like:
> [3-10], [14-18]
>
> I have a rough structure from crystallography, and have made
> a trypsin digest and mass spec analysis.
>
> And I see fragments which have been post-trans modified.
>
> Now I am interested in matching if those fragments are surface exposed or
> internal.
>
> What tools does pymol have to find out if the residues are surface exposed?
> Or is there another "easy" tool?
>
> Best
> Troels Emtekær Linnet
> Ved kløvermarken 9, 1.th
> 2300 København S
> Mobil: +45 60210234
>
>
>
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--
Folmer Fredslund
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