[CPMD-list] Visualization of CPMD

[Axel Kohlmeyer]

On Fri, 1 Apr 2005, Junichi Kato wrote:

JK> Hi.

hi!

JK> I begin vizualization of CPMD with Axel home page.
JK> Though this page is easy to understand, I have struggle with secion 3.3 
JK> titled Extending the Script and Plugin Search Path.
JK> I have installed VMD1.8.3 Windows version by the defalut option.


JK> Where should I locate vmd.rc for being additional Tcl scripts
JK> (=subroutines)  and plugins avaliable for Windows? I have get the
JK> error that Couldnt found additional Tcl scripts and plugins. What is
JK> worng?

well, this is more a VMD than a CPMD related question. since i don't
use VMD on windows for anything serious (in fact, i very rarely use
windows at all), there is little support for and no testing with my
VMD scripts done on windows machines. i'd be happy to include additional 
comments for using VMD on Windows with my scripts, though.

for your immediate question, please have a look at the VMD user's
guide: http://www.ks.uiuc.edu/Research/vmd/current/ug/node193.html

if you still have problems, please quote the exact error message and
the corresponding section of your vmd.rc file.

JK> I have added the scentence of the following in vmd.rc and located vmd.rc in 
JK> My Document directory.
JK> //////////////////////////////////////////////////////////////////////# 
JK> search for new/updated molfile plugins in $HOME/vmd/plugins/$VMDARCH/molfile
JK> # type 'vmdinfo arch' to find your name for $VMDARCH
JK> vmd_plugin_scandirectory [file join $env(HOME) vmd/plugins [vmdinfo arch] 
JK> molfile] *.so
JK> 
JK> # add local (autoloaded) scripts to the search path
JK> set auto_path [concat $env(HOME)/vmd/scripts/tcl $auto_path]
JK> 
JK> # command extensions (e.g. vmd_draw_vector) have to be sourced
JK> foreach ext [glob -nocomplain $env(HOME)/vmd/scripts/extensions/*.tcl ] {
JK>         source $ext
JK> }
JK> unset ext
JK> //////////////////////////////////////////////////////////////////////
JK> Then made directories named vmd/scripts, vmd/scripts/tcl, 
JK> vnd/scripts/extensions, and plugins, respectively in My Document directory,
JK>  and moved addtional files to those directories.

for those to work, you have to make sure, that $HOME (or %HOME in
DOS notation) is pointing to that 'My Documents' directory.
you can also replace the $env(HOME) with any path you like,
e.g. "C:\Documents and Settings\user\My Documents\".

regards,
	axel

JK> 
JK> 
JK> Junichi kato
JK> 
JK> 

-- 

=======================================================================
Dr. 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.