VMD-L Mailing List

From: maria goranovic (mariagoranovic_at_gmail.com)
Date: Thu Jul 07 2011 - 05:21:00 CDT

Sorry for spamming, but this is what i am trying to do to automate qpt_conv:

echo D temp.qpt temp.vmd_plot 1 | qpt_conv

Although qpt_conv takes in the first argument (D), it does not take the rest
and exits. I have no idea what I am doing wrong. In its interactive form,
qpt_conv does need the user to press a return key after each entry,

any suggestions?

On Tue, Jul 5, 2011 at 5:05 PM, maria goranovic <mariagoranovic_at_gmail.com>wrote:

> I am trying to use Hole to find and display cavities in a protein. Hole
> uses the executable qpt_conv to convert sph output to a format readable by
> vmd. However, qpt_conv seems to be interactive. It requires entering "D" and
> a few return strokes to produce the vmd_plot file format. How can one get
> around this without recompiling the hole code?
>
> Additionally, how does one display an entire trajectory alongwith a series
> of hole-produced vmd_plot files which hold the dotted representation of the
> cavity? I am hoping some one has done this before, and will be kind enough
> to share the experience?
>
> Thank you in advance,
>
> -Maria-
> --
> Maria G.
> Technical University of Denmark
> Copenhagen
> 

-- 
Maria G.
Technical University of Denmark
Copenhagen