VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Tue Mar 12 2013 - 14:50:37 CDT

Erik,
  Try this instead:
$sel set altloc \"\"

Cheers,
  John Stone
  vmd_at_ks.uiuc.edu

On Mon, Mar 11, 2013 at 04:49:47PM -0500, Martin, Erik W wrote:
>
> Hi,
> I was trying to prepare a structure to parameterize for MD. Obviously, I want to remove the alternate locations for aa when they're provided. This was easy enough to do just by adding "not altloc B" to my selection text.
>
> However, I'd really like to remove the "A" from the altloc field in the temp pdb file I wrote? It just makes the data easier to manipulate. Something like
> $sel set altloc {}
>
> Doesn't work. Is there a good way to do this without just using sed or something on the pdb file?
>
> Thanks
> Erik
>
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