VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Wed Aug 24 2011 - 16:57:50 CDT

On Wed, Aug 24, 2011 at 5:55 PM, Jiao, Dian NMN (-EXP)
<dnjiao_at_sandia.gov> wrote:
> 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.

as i wrote. if .vmdrc is in your $HOME, then it should be
sourced automatically every time VMD launches. for details
and additional suggestions, please check out the VMD user's guide.

cheers,
     axel.

> 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.
>>
>
> 

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