VMD-L Mailing List

From: Josh Vermaas (vermaas2_at_illinois.edu)
Date: Mon Feb 23 2015 - 17:15:49 CST

Why not save the following selection:

protein and not (sidechain and resid 1234)

Seems to do what you want after replacing resid 1234 with the
appropriate resid.
-Josh Vermaas

On 02/23/2015 03:57 PM, Ashar Malik wrote:
>
> Hi there,
>
> Not sure how that would be done through vmd. However what you can do
> is write the the complete PDB file of the structure. Then use a simple
> script (python/shell) to parse the PDB file and copy the backbone
> atoms of the residue of interest and all atoms from other residues.
>
> Hope this helps.
>
> Best,
> /A
>
> On Feb 24, 2015 5:49 AM, "Jevgenij Raskatov" <jraskato_at_ucsc.edu
> <mailto:jraskato_at_ucsc.edu>> wrote:
>
> Dear all,
>
>
> I would like to write a pdb file, in which one amino acid is
> selected as backbone only, whereas the rest contains all atoms -
> how does one combine that?
>
> Thanks
>
>
>
> --
> Dr. Jevgenij A. Raskatov
> Assistant Professor in Chemistry and Biochemistry
>
> Tel.: +1-831-459-2978 <tel:%2B1-831-459-2978>
>
> Department of Chemistry and Biochemistry
> Physical Science Building 356
> 1156 High Street
> Santa Cruz, CA
> 95064 USA
>