I have used smol files for vibration e.g.
http://www.chemtube3d.com/vibrationsC2H4.htm and they work well without any
server side settings.
All the best
Nick
Sent from my iPad
On 25 Jun 2010, at 21:29,
"jmol-users-requ...@lists.sourceforge.net<mailto:jmol-users-requ...@lists.sourceforge.net>"
<jmol-users-requ...@lists.sourceforge.net<mailto:jmol-users-requ...@lists.sourceforge.net>>
wrote:
Fri, 25 Jun 2010 13:47:35 -0400
From: Pshemak Maslak
<<mailto:p...@chem.psu.edu>p...@chem.psu.edu<mailto:p...@chem.psu.edu>>
Subject: Re: [Jmol-users] smol files
To: <mailto:jmol-users@lists.sourceforge.net>
jmol-users@lists.sourceforge.net<mailto:jmol-users@lists.sourceforge.net>
Message-ID:
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On 6/25/2010 1:35 PM, Angel Herr?ez wrote:
Hello, PM
I am a new Jmol user and would like to learn more about smol files (Spartan,
Wavefuction)
Maybe this is not the best place to ask. You should address some Spartan
community
Thank you for your suggestion.
Obviously, I would like to learn how smol files are read by Jmol (not
what they are).
1. What is the MIME type for smol files to be correctly read on a server?
As far as Jmol is concerned, file extensions and MIME types are irrelevant.
Jmol will read the
files and interpret their format irrespective of those issues.
It is probably true on a desktop, but I do not think this is correct on
a server. If a MIME type is not set, a file like.smol (or even jvxl)
will not be read by the web app.
My server can only read smol files after smol MIME was set to a generic
"application/octet-stream". Surprisingly Spartan technical help refers
me to Jmol community for smol MIME type info.
a) how can one read different surfaces outside of MOs and mep)?
b) it appears that vibrational data can be read but they cannot be turned off,
and once read they
make surface data unavailable (and vice versa).Is there a solution to this
issue?
I cannot offer help on these, it depends on how the file reader parses the
data. But do you
mean when the file data is read by Jmol?
Of course, I am referring to the reading of the file by Jmol.
Maybe you can look at the sample data files at
<http://jmol.svn.sourceforge.net/viewvc/jmol/trunk/Jmol-datafiles/spartan/>http://jmol.svn.sourceforge.net/viewvc/jmol/trunk/Jmol-datafiles/spartan/
those should be read correctly by Jmol.
Lmol will read correctly smol file with surface (or MO) data.
I am referring to a situation where smol also contains vibrational
frequency data. Reading of these does not work properly or at least
interferes with reading of surface data.
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