RE: [PyMOL] Possible to select the nth residue?

[Warren D. <wa...@de...>]

res_list =3D []

iterate name ca, res_list.append(chain+"/"+resi+"/")

cmd.indicate(res_list[2])
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Warren L. DeLano, Ph.D.                    =20
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> -----Original Message-----
> From: pym...@li...=20
> [mailto:pym...@li...] On Behalf Of Dan Kulp
> Sent: Thursday, January 19, 2006 9:37 AM
> To: dw...@ma...
> Cc: Alex Luso; pym...@li...
> Subject: Re: [PyMOL] Possible to select the nth residue?
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> Sorry the below actually won't work, you'll need something more...
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> nth_residue =3D 3
> previous =3D -1
> cur_res  =3D 0
> nth_resi =3D 0
> for at in cmd.get_model("molecule1 and chainA").atom:
>     if (at.resi !=3D previous):
>          cur_res++
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>     if (cur_res =3D=3D nth_residue):
>          nth_resi =3D at.resi
>          break
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> # Now do the selection...
> cmd.select("myselection", "molecule1 and chain A and resi %s"=20
> % (nth_resi))
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> There might be a cleaner way, but something along these lines=20
> should work.
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> Sorry for the first email,
> Dan
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> This looks better. However you'll want to put it in a script,=20
> wrap it with a function, etc...  I haven't test the above though.
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> Dan Kulp wrote:
> > I just needed to do this and this was my solution
> >
> > NTH_RESIDUE=3D3
> > cmd.select("myselection", "molecule1 and chain A and resi %s" %=20
> > (cmd.get_model("molecule1 and chain A").atom[NTH_RESIDUE]))
> >
> > will create a selection named myselection and contain only the=20
> > NTH_RESIDUE of molecule1 and chain  A.
> >
> > Hope this helps,
> > ~Dan
> >
> > Alex Luso wrote:
> >>   One more question.
> >>
> >>   Someone asked me this: is it possible in Pymol to select
> >> the nth (e.g. the 3rd) residue in a molecule/chain without
> >> knowing the pdb residue # itself?
> >>
> >>   -Alex
> >>
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> >
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> --=20
>    Dan Kulp
>    Biophysics Graduate Student @ UPenn
>    dw...@ma...
>    http://dwkulp.homelinux.net/tiki/tiki-index.php
> --
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