Thanks Jennifer. I’ve been doing some reading at the WaveFunction site. It
looks like the App’s Spartan Properties Database subset is 6000 molecules. If
the sketcher is used properly, you can pack the following into the saved
(emailed - go figure) spartan file:
1) The three basic charges in a
iSpartan doesn't do any calculations. It looks up data somewhere and only works
for the 50k included molecules. I'm not sure if all the data is included in the
app or maybe it looks up stuff online.
I am not familiar with the file formats Spartan is using these days.
Jennifer
Sent from my
should be fine. .smol or spardir come to mind.
On Sun, Apr 25, 2010 at 1:56 PM, Otis Rothenberger osrot...@chemagic.comwrote:
I have never used Spartan myself, but I need to give a colleague some
advice on the correct Spartan file and file generation approach for a
specific task:
Using
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