-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 On Thursday 19 February 2004 12:31, Miguel Howard wrote: > 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.
Please see below... > > 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. Miguel, the plugins use the CDKEditBus interface for this... Jmol's jmol/app/JmolViewer.java provides this interface to plugins... > Currently, Jmol can only support one 'ModelAdapter'. However, this is > something that we planned to change. Hence, I don't quite see why a JmolModelAdapter needs to be implemented... Could you elaborate? Same for the iterators... The CDKEditBus provides a getChemFile() method, but Jmol currently does not implement that... The patch I sent might properly implement it, but have not tested that yet... Egon - -- [EMAIL PROTECTED] PhD on Molecular Representation in Chemometrics Nijmegen University http://www.cac.sci.kun.nl/people/egonw/ GPG: 1024D/D6336BA6 -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.0.7 (SunOS) iD8DBQFANKF2d9R8I9Yza6YRAi0AAKCi2JCbVwMH1XAeL1uCl5+Z9qrHJQCcDVeg zUUfTp6UMtrwWBjkuYjenxA= =OxRy -----END PGP SIGNATURE----- ------------------------------------------------------- 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_id56&alloc_id438&op=click _______________________________________________ Jmol-developers mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-developers
