From: Giuseppe S. <giu...@gm...> - 2010-10-22 16:03:00
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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 <osr...@ch...> > 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. > > > > > > > ------------------------------------------------------------------------------ > > 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 > > Jmo...@li... > > https://lists.sourceforge.net/lists/listinfo/jmol-users > > > > > > > ------------------------------------------------------------------------------ > 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 > Jmo...@li... > https://lists.sourceforge.net/lists/listinfo/jmol-users > |