Bob and Angel,
Thanks for the responses. My original thinking was that there was no
way that Jmol was going to read the huge .spartan file for methane. Per
Bob's note and Angel's note, wrong! It reads the file just fine. The
resulting Jmol rendering of methane has vibration information, but not
the electrostatic information for MEPS. We'll go back and do it again. I
assume that we're not selecting the correct calculations in Spartan.
I'll post a follow-up after we check this just to record a
resolution to an issue that may be of interest to other users.
Otis
Bob Hanson wrote:
Otis,
There are a few different Spartan file types, including .smol, .spartan,
.sparchive, and full "spardir" Spartan directories that are zipped up
(or not). Jmol recognizes them all. So save your file in whatever
Spartan format you can, and see if Jmol will read it. If it doesn't,
send the file to me.
Bob Hanson
Otis Rothenberger wrote:
Hello-
I'm interested in taking a closer look at using Jmol to display MEPS.
The Jmol sample smol files for benzene and fluoromethane work very
nicely. The smol file type appears to be a Spartan related file type.
I'm having trouble tracking down information on this file type. Using
Mac Spartan 06, there does not seem to be any smol option, nor does the
Mac Spartan documentation reference this file type. Can anyone point me
to more information about creating this file type from Spartan?
Alternatively, are there any other suggestions regarding software
packages, including Spartan, that can export Jmol readable files with
electrostatic data for MEPS display?
Otis Rothenberger
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