VMD-L Mailing List

From: Nathan Kern (nathan.kern_at_lehigh.edu)
Date: Wed May 06 2020 - 18:43:22 CDT

Hi Neena,

The first and third commands are from Tcl (see here
<https://www.tcl.tk/man/tcl8.5/TclCmd/contents.htm>, here
<https://www.tcl.tk/man/tcl8.5/TclCmd/set.htm>, and here
<https://www.tcl.tk/man/tcl8.5/TclCmd/foreach.htm>).

The second command is specific to VMD, and you should see here
<http://www-s.ks.uiuc.edu/Research/vmd/current/ug/node117.html> and here
<http://www-s.ks.uiuc.edu/Research/vmd/current/ug/node140.html>.

Nathan

On Wed, May 6, 2020 at 7:05 PM Neena Susan Eappen <
neena.susaneappen_at_mail.utoronto.ca> wrote:

> Hello VMD users,
>
> I am trying to do cluster analysis of 30 structures (same molecule, from
> 30 independent MD simulations). On VMD, I can upload structure one by one,
> but I saw the below code from the mailing list to make it easier (say by
> uploading structure 1 as reference and then add remaining 29 structures as
> frames):
>
> set filelist [glob file*.pdb]
> mol new
> foreach file $filelist {mol addfile $file}
>
> I tried this command with my file names, but it did not work. Could
> someone explain to me every line of the above code or refer me to a manual?
>
> Many thanks,
> Neena
>