VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Sat Mar 28 2009 - 14:41:52 CDT

Hi,
  It's not clear to me what you're talking about when you
refer to "thread" in the context of your script. The VMD
command interpreter is single-threaded, although some operations
are asynchronous by default (e.g. 'mol new', etc).

Please send a copy of your script, as the single command you
included below is insufficient to indicate the source of your
problem.

Cheers,
  John Stone
  vmd_at_ks.uiuc.edu

On Fri, Mar 27, 2009 at 06:44:32PM +0100, Raluca Mihaela ANDREI wrote:
> Hi,
> I have to load different PQR files, and for each one I have to
> create the relevant pot.dx file and the relevant rendering
> file.
>
> I would have to carry out these operations automatically by
> running a tcl script, so I would include all relevant
> statements in a "for" cycle.
>
> But I have a problem when the script runs the "mol" command as
> the following:
>
> "mol addfile $potFile type {dx} first 0 last -1 step 1 waitfor
> -1 $molID"
>
> After this statement, a different thread creating the pot.dx
> file runs, while the script continues to run the other
> statements, without waiting for the end of the previous one.
>
> Is it possible, to wait for the end of the thread relevant the
> pot.dx creation, and to execute the other statements just when
> the pot.dx creation is finished?
>
> Thank you.
>
> Raluca 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
Email: johns_at_ks.uiuc.edu                 Phone: 217-244-3349
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