VMD-L Mailing List

From: Vermaas, Josh (vermaasj_at_msu.edu)
Date: Fri May 28 2021 - 10:49:25 CDT

Hi Saikat,

Please keep the mailinglist in your replies for context. In scripts, the quotes need to be escaped, otherwise Tcl can’t determine where the strings begin and end. Try:

set sel1 [atomselect top "name \"C5.*\" \"C4.*\" \"O4.*\"”]

When answering questions of which selection is correct, you can try things like “puts [$sel2 num]”. Does it give a reasonable output? My guess is that it didn’t, since I suspect that no atoms matched the sel2 selection you wrote, since single quotes won’t use regular expressions.

-Josh

From: Saikat Pal <saikatpaliitg_at_yahoo.com>
Date: Friday, May 28, 2021 at 11:38 AM
To: "Vermaas, Josh" <vermaasj_at_msu.edu>
Subject: Re: vmd-l: Atom selection with asterisk atom name

Thank you for your kind reply. I want to use it in tcl script. So when I have tried the following command:
set sel1 [atomselect top "name "C5.*" "C4.*" "O4.*"]

It shows error:
extra characters after close-quote

But when I have used:
set sel2 [atomselect top "name 'C5.*' 'C4.*' 'O4.*'"]

There is no error. So my question is it correct?





Thanks and Regards,

Saikat Pal




On Wednesday, 26 May, 2021, 10:33:01 pm IST, Vermaas, Josh <vermaasj_at_msu.edu> wrote:



Hi Saikat,



This is in the user guide. https://www.ks.uiuc.edu/Research/vmd/current/ug/node94.html$>.



For your selection (anything starting with C1, C4, C5, or O5), I think it would simplify to this:



name “C[145].*” “O4.*”



-Josh



From: <owner-vmd-l_at_ks.uiuc.edu> on behalf of Saikat Pal <saikatpaliitg_at_REMOVE_yahoo.com>
Date: Wednesday, May 26, 2021 at 3:53 AM
To: VMD Mailing List <vmd-l_at_ks.uiuc.edu>
Subject: vmd-l: Atom selection with asterisk atom name





Dear all,



I want to select multiple atoms with asterisks like C5* C4* O4* C1*. So what should I do?





Thanks and Regards,



Saikat Pal