[gmx-users] select in pymol after trjconv
lnzhao99 at gmail.com
Mon Mar 7 15:54:14 CET 2011
On Mon, Mar 7, 2011 at 10:45 PM, Justin A. Lemkul <jalemkul at vt.edu> wrote:
> I'm guessing you have different chain identifiers, i.e. identical
>> chains, just labeled A and B or something?
>> I got four chains. and the .pdb from trjconv do not distinguish those
>> things and don't show chain info.
>> Do you have some nice way to view .gro in pymol. (compare VMD I am a bit
>> familiar with pymol)
> Renumber using genconf. You should be able to select consecutive residues
> in this way. Otherwise, use a couple quick text editor tricks to write in
> chain identifiers to make selection easy.
genconf works so perfect here.
> Thanks again,
> Justin A. Lemkul
> Ph.D. Candidate
> ICTAS Doctoral Scholar
> MILES-IGERT Trainee
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
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