VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Wed Aug 24 2011 - 16:47:49 CDT

hi dian,

On Wed, Aug 24, 2011 at 4:24 PM, Jiao, Dian NMN (-EXP)
<dnjiao_at_sandia.gov> wrote:
> Hi,
> I was following Paul Grayson's little instruction on installing orient
> packages on my mac for aligning the principle axes of a molecule, but I
> could not get it to work with my VMD. When I do "package require Orient" in
> TK console, it says "can't find package Orient". I have pointed the vmd
> autopath to where I have put the orient and la101 by adding these two lines
> of lappend to my .vmdrc file under $mypath/VMD 1.8.7.app/Contents/vmd. I am
> not sure if the vmdrc file gets sourced when I fire up VMD, but that is the
> only .vmdrc on my machine. Could I get some advice on this?

the .vmdrc file is supposed to be in your home directory.

it is very easy to test, if it is being sourced. just add the line

puts stderr "sourcing .vmdrc right now"

to it, and you should see this message in the VMD text mode console window.

an easier way to test whether your auto_path changes
is to put them into a separate script file, myscript.tcl,
open a text mode terminal window, then start a tclsh
in this terminal and execute: source myscript.tcl
and then try:
package require Orient
to see if it loads correctly.
that will avoid the overhead of launching VMD and
gives you plain text interface where you will see
all relevant error messages. once you have verified
that myscript.tcl works correctly, you can copy its
contents into your .vmdrc file.

cheers,
     axel.

> Thanks
> Dian 

-- 
Dr. Axel Kohlmeyer
akohlmey_at_gmail.com  http://goo.gl/1wk0
Institute for Computational Molecular Science
Temple University, Philadelphia PA, USA.