That's right ... it works.
I've just tried the Pino's page and the raw way from the jme example page.
I didn't know was possible to load the .jme file directly in jmol, they are
loaded
immediately in 3D with all the sobstituent and with the right number of
bond.
I think it is quite amazing and very useful for my work in classroom !!!
THANKS TO YOU ALL.
Giuseppe Stavole
chemistry teacher
2010/10/22 Otis Rothenberger <[email protected]>
> Hi Angel and Pino,
>
> Bob can speak to this better than I can, but as we worked on the use of
> Jmol with JME, Bob made some specific 3D fixes - e.g.
> cyclohexane/substituted cyclohexanes/alkynes. One sure route to these
> fixes is the jme file load route. Although it's not in the documentation
> that I can find, I think Bob also has a 3D filter for 2D molfiles. The
> documentation does indicate that you can filter a 3D molfile to 2D.
> Again, my recollection is that a 3D filter on a 2D molfile follows the
> same load route as a JME file load. Pino, you could test this to see if
> it's the case, but the direct JME load is easier.
>
> Otis
>
> Otis Rothenberger
> chemagic.com
>
>
> On 10/22/2010 10:47 AM, Angel Herráez wrote:
> > This is interesting and intriguing... What is the reason why Jmol
> > minimizes correctly the model coming from JME string but not the MOL
> > string?
> > As I said, I'm quite confident this is only a cyclohexane problem.
> >
> >
> >
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> Nokia and AT&T present the 2010 Calling All Innovators-North America
> contest
> Create new apps & games for the Nokia N8 for consumers in U.S. and Canada
> $10 million total in prizes - $4M cash, 500 devices, nearly $6M in
> marketing
> Develop with Nokia Qt SDK, Web Runtime, or Java and Publish to Ovi Store
> http://p.sf.net/sfu/nokia-dev2dev
> _______________________________________________
> Jmol-users mailing list
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> https://lists.sourceforge.net/lists/listinfo/jmol-users
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------------------------------------------------------------------------------
Nokia and AT&T present the 2010 Calling All Innovators-North America contest
Create new apps & games for the Nokia N8 for consumers in U.S. and Canada
$10 million total in prizes - $4M cash, 500 devices, nearly $6M in marketing
Develop with Nokia Qt SDK, Web Runtime, or Java and Publish to Ovi Store
http://p.sf.net/sfu/nokia-dev2dev
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