Subject: summary of replies on how to interface GRID to InsightII

From: [email-masked] (Carlos Faerman)
Date: Mon, 15 Aug 94 11:08:33 -0400

I wish to thank the persons who kindly answered my question!
Carlos H. Faerman
[email-masked]
Here is a summary of the original question and the answers I received
==============================================================================
QUESTION:
********
>Does anyone have a working interface between GRID (Peter Goodford) and
>InsightII (version 2.3) (Biosym)?
>I have run GRIDI, which supposedly converts the results to a format
>expected by InsightII but I have not been successful...
>If someone has already modified GRIDI to carry this task successfully, please
>let me know
>Carlos H. Faerman
>[email-masked]
ANSWERS:
********

We have had no problem running GRID as GRIDI and importing the GRID contour
files into Insight II for visualization.  When running GRIDI make sure that
the GRID input file defines a contour output file with the extension "grd"
which can be recognized by Insight II. (  KONT = contour.grd )

After running GRIDI, start InsightII and select the grid option from the row
of buttons with pictures on them.  Within the grid option select'get'.  This
should bring up a file list of all the *.grd files in your directory.  After
you have imported the GRIDI output file, you will need to set energy levels
and colors for display.  This is also under the grid option.  Don't confuse
the 'contour' menu option with the 'grid' option in Insight II.  You need
to use the grid option for importing GRIDI results.

Send me an e-mail if you still have problems after reading this.

Good Luck

Gene Coats
[email-masked]
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Carlos,
                I have used the program GRIDI and there are two ways to use
the output files. The first is to use the contour utility which comes with
InsightII to prepare contour file that can then be read into InsightII
using the contour get facility. This gives the contour line like pictures.
The second involves using get grid command under the Ampac/mopac menus.
This gives nice solid surfaces, but you need to know the level that you
want to display as InightII can't seem to handle negative contours. Both
ways are very memory intensive and I was able to crash InsightII fairly
easily doing either method. If you need any more help, just e-mail me.

Bye for now,  Jeff.

Jeff Dyason                        Phone: (61 3) 903-9559
Victorian College of Pharmacy      Fax: (61 3 ) 903-9582
Monash University                  e-mail: [email-masked]
381 Royal Parade, Parkville, Victoria, 3052 Australia