Hello,
I would like to open
(or import) a Gaussian
outputfile into Avogadro,
but I get the following message :
“Reading molecular file failed, file
/Users/henon/ts1b.g98”
Also, the .g03 file extension does not work.
File permissions have been correctly set.
I installed Avogadro on a MacBook Pro.
The corresponding attempt on my Linux PC
perfectly works using the same file!
Does anyone have an idea ?
Thanks in advance.
Eric Henon
On Oct 18, 2009, at 8:12 AM, ERIC HENON wrote:
Also, the .g03 file extension does not work.
File permissions have been correctly set.
Can you try a recent nightly build?
http://avogadro.openmolecules.net/nightly/mac/
Thanks!
-Geoff
On Oct 19, 2009, at 1:53 PM, ERIC HENON wrote:
May I suggest, for “teaching purposes”, concerning the molecular
orbital viewing, to put also the orbital’s energy next to its
numbering (in order to show to the students the energy gap between
shells for atoms for example).
We’d like to have this feature, as well as a “ladder plot” showing the
relative energies of the orbitals. These will likely be in the next
version of Avogadro after the 1.0 release (i.e., v1.2).
Thanks for the suggestions!
-Geoff