VMD-L Mailing List

From: Justin Gullingsrud (justinrocks_at_gmail.com)
Date: Sun Oct 10 2004 - 10:19:17 CDT

Hi,

Another place to do this is from within your vmd startup script itself
(/usr/local/bin/vmd by default). You can also make a copy of the vmd
script, put it in your path somewhere (such as in a ~/bin/ directory),
and edit that.

Cheers,
Justin

On Sun, 10 Oct 2004 10:20:16 +0200, Axel Kohlmeyer
<axel.kohlmeyer_at_theochem.ruhr-uni-bochum.de> wrote:
>
> >>> "LR" == Luis Rosales <ludwig_at_biomedicas.unam.mx> writes:
>
> LR> Hi again...
>
> LR> Thanks for your answers, however in spite of all your help I am still unable
> LR> to resolve my problem...
> LR> I have tried using the suggestion of Axel, however I got the following
> LR> message (both in win and linux VMD 1.8.2):
>
> LR> extra characters after close-quote
> LR> invalid command name "setenv"
> LR> invalid command name "endif"
>
> LR> As far as I understand from the manual is possible to define the enviroment
> LR> varibles in the startup file (.vmdrc/vmd.rc), using the "env array"... And
> LR> the definition has to look like this:
>
> LR> set env VMDSCRPOS (100,10)
>
> LR> (I have looked on the vmdinit.tcl where variables are defined: set
> LR> env(VMDFILECHOOSER) TK )
> LR> But the console says:
>
> LR> wrong # args: should be "set varName ?newValue?"
>
> LR> I know that I must be making a very basic and dumb mistake, but considering
> LR> that I´m tcl/tk impaired, I must asak again for help... Does anyone can
> LR> provide me with a example how do you define env variables?
> LR> I'm sure (well, almost sure, he he he) that form a concrete example I should
> LR> be able customize the rest of them...
>
> hi,
>
> ok, the situation is a little bit confusing, and my suggestion did
> not make easier since i was assuming too much. i'm sorry about that.
>
> problem is, that you have to define these environment variables
> _before_ you start the vmd executable. the vmd console or .vmdrc file are
> far too late in the game, so this cannot work. now on a linux(unix)
> machine there are in fact _two_ vmd executables (vmd and vmd_LINUX).
> the vmd program itself is a plain text file with some script (but
> shell script not tk/tcl) code that will set all kinds of enviroment
> variables and paths and then call the real vmd executable (vmd_LINUX).
> so the easiest way to permanently change those settings would be to
> change the vmd (script) program. the IMO second best solution would
> be to change your environment. that would be either
>
> export VMDSCRPOS='100 10'
>
> or
>
> setenv VMDSCRPOT '100 10'
>
> depending on the type of shell program that you are using. probably the
> first (since bash is the most popular shell under linux).
> this can be made permanent by adding these commands to either .bashrc,
> .profile or .cshrc, again depending on the type of shell.
>
> how this is achieved on a windows machine, i don't know (the last
> time i had to do anything similar on a non-unix machine was in
> the days of MS-DOS 5.0 and windows 3.1)...
>
> best regards,
> axel.
>
> p.s.:
> just for the record, the proper way to set environment variables
> from tcl is not:
>
> LR> set env VMDSCRPOS (100,10)
>
> but: set env(VMDSCPOS) {100 10}
>
> LR> Again, thanks for all of your replies and your time.
>
> LR> Kind regards,
>
> LR> Luis
>
> --
>
> =======================================================================
> Axel Kohlmeyer e-mail: axel.kohlmeyer_at_theochem.ruhr-uni-bochum.de
> Lehrstuhl fuer Theoretische Chemie Phone: ++49 (0)234/32-26673
> Ruhr-Universitaet Bochum - NC 03/53 Fax: ++49 (0)234/32-14045
> D-44780 Bochum http://www.theochem.ruhr-uni-bochum.de/~axel.kohlmeyer/
> =======================================================================
> If you make something idiot-proof, the universe creates a better idiot.
>
> 

-- 
The spirit of Plato dies hard.  We have been unable to escape the
philosophical tradition that what we can see and measure in the world
is merely the superficial and imperfect representation of an
underlying reality.
                -- S.J. Gould, "The Mismeasure of Man"