>
> % egrep '^CRYST|^SCALE|^ATOM|^HETATM.{11}(MSE|PTR|SEP|TPO)' your.pdb >
> standard_residues_only.pdb
I think the original request was to extract particular chains, so
extending the above further to select (say) chain A
egrep '^CRYST|^SCALE|^ATOM.{17}A |^HETATM.{11}(MSE|PTR|SEP|TPO) A' your.pdb >
standard_residues_in_chainA.pdb
Marko
> -- Ian
>
> > -----Original Message-----
> > From: [EMAIL PROTECTED]
> > [mailto:[EMAIL PROTECTED] On Behalf Of Phil Evans
> > Sent: 30 August 2007 15:45
> > To: CCP4BB@JISCMAIL.AC.UK
> > Subject: MSE
> >
> > <flame>
> > As an aside, does anyone understand why MSE is not an amino-acid?
> > Phil
> > </flame>
> >
> > On 30 Aug 2007, at 15:31, Clemens Vonrhein wrote:
> >
> > > If your PDB file conforms to standard
> > >
> > > http://www.wwpdb.org/documentation/format23/sect9.html#ATOM
> > >
> > > you could do
> > >
> > > % egrep "^CRYST|^SCALE|^ATOM" your.pdb >
> > standard_residues_only.pdb
> > >
> > > You'll miss the 'non-standard' Se-MET residue 'MSE' ;-)
> >
> >
>
>
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_____________________________________
Marko Hyvönen
Department of Biochemistry
University of Cambridge
http://www-cryst.bioc.cam.ac.uk/~marko
tel: +44-(0)1223-766 044 / 760 468, fax: 766 002
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