If I start Avo on Windows, click to create a methane, switch to rotate
tool, rotate the molecule a bit, then drag and drop a .g98 file
(because there’s no other way to open a Gaussian output file except
renaming it to .g98 or .g03) onto the workspace, you will find the
following: when you rotate the molecule you’ll see a methane, but when
you stop rotating it, you’ll see your Gaussian calculation.
To avoid this interesting effect, don’t switch to the rotate tool or
if you do, don’t rotate your methane molecule.
On Feb 12, 2009, at 11:58 AM, Noel O’Boyle wrote:
If I start Avo on Windows, click to create a methane, switch to rotate
tool
…
following: when you rotate the molecule you’ll see a methane, but when
you stop rotating it, you’ll see your Gaussian calculation.
I see two issues here. One is probably the “Quick Render” mode. Try
turning this off: “View → Use Quick Render”.
drag and drop a .g98 file (because there’s no other way to open a
Gaussian output file except
renaming it to .g98 or .g03) onto the workspace, you will find the
No, you should be able to open Gaussian files with .out or .log
or .dat as extensions. If those extensions aren’t working, please send
me the file and I’ll fix the bug. If you have another extension for a
Gaussian output, I’d be curious to know what it is.
Cheers,
-Geoff