VMD-L Mailing List

From: Salvatore Mario Cosseddu (S.M.Cosseddu_at_warwick.ac.uk)
Date: Thu Feb 09 2012 - 13:42:10 CST

Source is a tcl command.
http://www.astro.princeton.edu/~rhl/Tcl-Tk_docs/tcl/source.n.html

it will /source/ commands from a file. So the sourced file must contains
commands that vmd recognizes.

try to source this file
--------------------
puts "puts is a command from standard tcl library"

mol pdbload 1jg5
puts "mol is a command from vmd, I've no idea what 1jg[expr {1+2*2}] is
but it looks great!"
puts "also expr is part of the standard tcl library, cool!"

------------------------

file containing a set of instructions (commands) are called scripts. A
pdb file is not a script is an input file. "mol" is a command that, with
the argument "new", load the molecule in vmd.

Read the section of tcl scripting and google for learn a basic of tcl
scripting

On 09/02/12 15:53, MARK PLUMMER wrote:
> I am a new user of VMD and am having a problem with the Tk "source"
> command
> To start with, I set the Command Prompt to the directory by using --
> cd vmd\vmd-tutorial-file
> I then use the dir command to be sure I have the needed file in this
> directory -- e.g. 1ubq.pdb
> This file is listed in the cd vmd\vmd-tutorial-file directory
> I then type into the Tk Console "source 1ubq.pdb"
> I get the error message "couldn't read file "1ubq.pdb": no such file
> or directory
> I then tried typing into the Tk Console "source 1ubq" and get the same
> error message.
>
> All of this is confusing since all other Tk commands in the VMD
> tutorial work as described except in one case. When I used the TK
> command "mol new 1ubq.pdb", this file also could not be found. Then I
> used "mol new 1ubq" and the ubq molecule appeared in the Open Display
> window.
>
> Thanks for your help!!!!
> *
> MP*/r&d/, LLC
>
> By Mark A. Plummer, Manager
> mplummer65_at_msn.com
> mprdllc.com
>
>
>
> 

-- 
Salvatore Cosseddu
PhD student
Centre for Scientific Computing and School of Engineering
University of Warwick
Coventry CV4 7AL
United Kingdom
email: S.M.Cosseddu_at_warwick.ac.uk