VMD-L Mailing List

From: Pavan Ghatty (pavan.vmd_at_gmail.com)
Date: Tue Jul 26 2011 - 08:45:56 CDT

Great. Thanks.

On Mon, Jul 25, 2011 at 3:33 PM, Axel Kohlmeyer <akohlmey_at_gmail.com> wrote:

> On Mon, Jul 25, 2011 at 2:51 PM, Pavan Ghatty <pavan.vmd_at_gmail.com> wrote:
> > Hello All,
> > I have one of the following two files in my workdir. protein.pdb or
> > edit_protein.pdb
> > I would like to do the following:
> > 1. ls *.pdb
> > 2. mol new [ls*.pdb]
>
> this _cannot_ work since mol new only takes a single file as an argument.
>
> > This clearly doesn't work.
> > I tried to see if I could at least select the file using; ls *.pdb.
> > ---------------
> > vmd > ls *.pdb
> > /bin/ls: cannot access *.pdb: No such file or directory
> > child process exited abnormally
> > ---------------
>
> yes. this has to be, since the ls command actually doesn't
> do the expansion of the * wildcard, but the shell itself does it
> when to you type "ls *.pdb" (this is called globbing and can
> be disabled even).
>
> > I then found out that this works;
> > eval ls [glob *.pdb]
> > But then the following does not work;
> > mol new [eval ls [glob *.pdb]]
> > nor does this
> > mol load pdb [eval ls [glob *.pdb]]
> > They both die with this error;
> > Warning) Unable to ascertain filetype from filename ''; assuming pdb.
> > Can somebody help me out here?
>
> yes, because you have the principle error that mol new only accepts
> one file name
> per invocation. what you have to do is to build a loop (an example for that
> was
> given on the list earlier using some quirky find shell command).
>
> so if you do:
>
> foreach f [glob *.pdb] {
> mol new $f waitfor all
> }
>
> you should get what you desire.
>
> axel.
>
> > Thanks.
>
>
>
> --
> Dr. Axel Kohlmeyer
> akohlmey_at_gmail.com http://goo.gl/1wk0
>
> Institute for Computational Molecular Science
> Temple University, Philadelphia PA, USA.
>