VMD-L Mailing List

From: Nathan Kern (nathan.kern_at_lehigh.edu)
Date: Fri May 28 2021 - 11:48:44 CDT

It's probably worth pointing out that if you don't need to do parameter
substitution, then Tcl's literal string construct {} will tend to result in
code that's easier to read, since you wouldn't usually need to escape
quotes.

E.g. Josh's selection example:

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

Could be rewritten as:

set sel1 [atomselect top {name "C5.*" C4.*" O4.*"}]

Nathan

On Fri, May 28, 2021 at 12:42 PM Vermaas, Josh <vermaasj_at_msu.edu> wrote:

> 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 [$sel2 num]”. Does it give a reasonable output? My guess is that
> it didn’t, since I suspect that no atoms matched the sel2 selection you
> wrote, since single quotes won’t use regular expressions.
>
>
>
> -Josh
>
>
>
> *From: *Saikat Pal <saikatpaliitg_at_yahoo.com>
> *Date: *Friday, May 28, 2021 at 11:38 AM
> *To: *"Vermaas, Josh" <vermaasj_at_msu.edu>
> *Subject: *Re: vmd-l: Atom selection with asterisk atom name
>
>
>
> Thank you for your kind reply. I want to use it in tcl script. So when I
> have tried the following command:
>
> set sel1 [atomselect top "name "C5.*" "C4.*" "O4.*"]
>
>
>
> It shows error:
>
> extra characters after close-quote
>
>
>
> But when I have used:
>
> set sel2 [atomselect top "name 'C5.*' 'C4.*' 'O4.*'"]
>
>
>
> There is no error. So my question is it correct?
>
>
>
>
>
>
>
>
>
>
>
> Thanks and Regards,
>
>
>
> Saikat Pal
>
>
>
>
>
>
>
>
>
> On Wednesday, 26 May, 2021, 10:33:01 pm IST, Vermaas, Josh <
> vermaasj_at_msu.edu> wrote:
>
>
>
>
>
> Hi Saikat,
>
>
>
> This is in the user guide.
> https://www.ks.uiuc.edu/Research/vmd/current/ug/node94.html
> <https://urldefense.com/v3/__https:/www.ks.uiuc.edu/Research/vmd/current/ug/node94.html__;!!HXCxUKc!hOQRKjLoIe-uqw8ELaNnHbgk_qvvv6EL6Q1aFGxCkO9IPakikMBktMUs3Up7DQQ$>
> .
>
>
>
> 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
>
>
>
>
>
>