VMD-L Mailing List

From: Ashar Malik (asharjm_at_gmail.com)
Date: Wed Oct 08 2014 - 04:13:33 CDT

Hey Bjorn,

You need to call the package. On a successful install everything is there.
The GUI calls the plugins from the same path. Assuming a correct install
you will need to call the package with the command:

package require hbonds

in your script prior to calling it.

hbonds -sel1 atomselect0 -writefile yes -outfile hbond.dat

The error you mentioned stating invalid command results when you dont call
the package with the package require statement.

Best,
/A

On Wed, Oct 8, 2014 at 9:37 PM, Björn Forsberg <bjorn.forsberg_at_scilifelab.se
> wrote:

> Hi,
>
> I am trying to script vmd to do perform hydrogen-bond analysis for many
> short simulation trajectories, and invoke
>
> vmd -e script.tcl
>
> for every such trajectory. this script contains bsic instructions for
> loading files and selecting, and then commands like
>
> hbonds -sel1 atomselect0 -writefile yes -outfile hbond.dat
>
> This works fine, but throws up an unnecessary GUI every time, so I want
> to run it by modifying the vmd call to
>
> vmd -dispdev text -e script.tcl
>
> However vmd does in this case not recognise the plugin, saying
>
> invalid command name "hbonds"
>
> I did find that the plugin is a tcl script that may be executable in
> itself, but could not figure out how to use it in that case. Do I need to
> manually load the plugins in text-mode, or are they simply not available in
> text mode?
>
> Cheers,
>
> Björn
>
> 

-- 
Best,
/A