VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Tue Nov 03 2009 - 21:43:33 CST

On Tue, Nov 3, 2009 at 3:29 AM, Nuno Sousa Cerqueira <nscerque_at_fc.up.pt> wrote:
> Hello,
>
> I have a analysis script that I use very often with VMD.  The script is
> under a namespace and  does several calculations that freezes VMD interface

nuno,

apart from running in batch mode, you can also call
"display update ui" regularly from your script to keep
the GUI active. it is definitely not as efficient as running
in batch mode, but if you after convenience, then this is
something worth thinking about.

cheers,
    axel.

> (and takes a long time). Therefore I am trying to run it using the VMD
> shell.
>
> To run the script I have something like:
>
> ::Script::Shell  File
>
>
> where File is a file that is required for the calculation.
>
>
> I am trying to use the VMD shell option  using the following command
>
>
> vmd -dispdev text -args "::Script::Shell File"
>
> but it does not give me the desired results. The VMD runs, but the proc
> ::Script::Shell File  does not start.
> If I open VMD  (vmd -dispdev text) and I write ::Script::Shell File, it
> works fine.
>
> Does anyone has a workaround for this issue.
>
>
> Regards, Nuno
> 

-- 
Dr. Axel Kohlmeyer    akohlmey_at_gmail.com
Institute for Computational Molecular Science
College of Science and Technology
Temple University, Philadelphia PA, USA.