VMD-L Mailing List

From: Ashar Malik (asharjm_at_gmail.com)
Date: Tue Oct 08 2019 - 23:20:52 CDT

Yes.

For example you can make a selection of residues 1, 11, 33 and 47 in chain
D like this

set sel [atomselect top "chain D and resid 1 11 33 47"]

then if you want to make a new PDB file out of this -- just write out the
selection object like this

$sel writepdb output_name.pdb

reading your question again, do you mean you want to write each residue in
a separate PDB? for example do you want to make 4 PDB files in the above
case?
In that case use the above commands selecting one residue at a time in a
for loop.

Write back if I didn't understand you correctly.

On Wed, Oct 9, 2019 at 12:01 AM Stefano Guglielmo <
stefano.guglielmo_at_unito.it> wrote:

> Dear all,
> is there a way to select residues from a pdb and write each of them in a
> separate pdb file?
>
> Thanks in advance
> Stefano
>
> --
> Stefano GUGLIELMO PhD
> Assistant Professor of Medicinal Chemistry
> Department of Drug Science and Technology
> Via P. Giuria 9
> 10125 Turin, ITALY
> ph. +39 (0)11 6707178
>
>
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-- 
Best,
/A