[Avogadro-Discuss] New to Avogadro...questions...

[Roy J. <JensenRH@MacEwan.ca>]

Hello all

I am new to using Avogadro and GAMESS (longtime Gaussian user) and am
impressed with what the Avogadro interface. 

I apologize in advance that I am not a programmer and cannot assist
with these suggestions. However, I have several questions and
suggestions...

1. I had to rename the GAMESS output file to *.gamout to get Avogadro
to read it. [suggestion: reading and parsing the first few lines of
the output file for the word 'GAMESS', 'Gaussian', etc., would give
Avogadro the information it needs to correctly interpret the output
file.]

2. Avogadro didn't report the energy from the GAMESS output in the
properties dialogue box(?)

3. Does Avogadro have the ability to draw the orbitals, electron
density, etc.? I couldn't find it.

Thanks,
 Dr. Roy Jensen
(==========)-----------------------------------------¤
 Chemistry, Grant MacEwan University
 Room 5-172J, 10700-104 Avenue
 Edmonton, AB    T5J 4S2
 780.633.3915