VMD-L Mailing List

From: Jiao, Dian NMN (-EXP) (dnjiao_at_sandia.gov)
Date: Wed Aug 24 2011 - 16:55:23 CDT

Hi Axel,

I was trying to source the .vmdrc under bash (how stupid!) and obviously
it failed. Now I have sourced it in Tk console and I can load the Orient
package.

Thanks

Dian

On 8/24/11 3:47 PM, "Axel Kohlmeyer" <akohlmey_at_gmail.com> wrote:

>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.
>