VMD-L Mailing List

From: Josh Vermaas (vermaasj_at_msu.edu)
Date: Wed Aug 14 2024 - 09:44:24 CDT

Why not "not altloc B"? I know there is some shenanigans that can
positively select for empty altloc fields (I think it was ""), but just
excluding the "wrong" codes is probably easier to figure out quickly.

-Josh

On 8/13/24 8:47 PM, Bennion, Brian wrote:
> Hello,
>
> I would like to sort/clean up a set of pdb files and about 50% have
> altloc entries for many but not all the residues.
>
> Initially i created a selection using altloc A but that removed the
> rest of the protein which had blank entries for altloc.
>
> is there a proper selection syntax here
> [atomselect top "atloc A and the rest of the protein without altlocB
> or empty"
>
>
> Biosciences and Biotechnology Division|PLS|Lawrence Livermore National
> Laboratory|925-422-5722
>
> _
> _
> 

-- 
Josh Vermaas
vermaasj_at_msu.edu
Assistant Professor, Plant Research Laboratory and Biochemistry and Molecular Biology
Michigan State University
vermaaslab.github.io