Tommi wrote: > Perhaps I could describe my plugin plan a bit. The plugin would make > some comp.chem. methods available into Jmol. It would read the current > atoms/bonds from Jmol,
This sounds like good functionality. I think that Jmol should provide iterators for this purpose. > send them to a remote server (using a socket > perhaps?) along with other instructions (calculate energy, optimize > structure perhaps), and wait for a reply. Then it would display the > calculated energy and pass the optimized structure back to Jmol. Passing the structure back to Jmol means that you need to implement the JmolModelAdapter interface. That is the API for feeding structures to Jmol. Currently, Jmol can only support one 'ModelAdapter'. However, this is something that we planned to change. > I have > planned to use "ghemical" as the remote server (please see > http://bioinformatics.org/ghemical/). > > So I think this could bring more functionality into Jmol and offer an > alternative user interface to ghemical (eventually once finished). Very good. Miguel ------------------------------------------------------- SF.Net is sponsored by: Speed Start Your Linux Apps Now. Build and deploy apps & Web services for Linux with a free DVD software kit from IBM. Click Now! http://ads.osdn.com/?ad_id=1356&alloc_id=3438&op=click _______________________________________________ Jmol-developers mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-developers
