Otis,
Make sure under surfaces (in Spartan) you check potential. The Smol file
will then work fine. You can check out a (rudimentary) example here:
http://faculty.trinityvalleyschool.org/pricep/jmol/molimages/water.html
Paul
-------------
Paul D. Price
Science Dept. Chair
Trinity Valley School
Ft. Worth, Texas 76132
[EMAIL PROTECTED]
From: Otis Rothenberger <[EMAIL PROTECTED]>
Organization: CheMagic
Reply-To: <[email protected]>
Date: Sun, 04 May 2008 21:36:56 -0500
To: <[email protected]>
Subject: Re: [Jmol-users] SMOL Files
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
>> [EMAIL PROTECTED]
>>
>>
>>
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>
>
>
>
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