VMD-L Mailing List

From: maria goranovic (mariagoranovic_at_gmail.com)
Date: Tue Jul 05 2011 - 10:05:55 CDT

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