Egon, I exchanged brief email messages with Raj today.
> But maybe, the developer can better make a plugin for it? >From his description, it looks like this is some type of graph (instead of a surface). In which case, you are right. The plugin mechanism is the way to do it. Miguel > On Wednesday 26 November 2003 22:34, Miguel Howard wrote: >> > Thus, a force field can be used to generate 3D coordinates. >> >> Do these 3d coordinates define a closed surface? > > A force field is not like an electric field... it's a field in > multidimensional space representing the energy of a 3D conformation of > the molecule... in other words, the generated 3D coordinates are simply > atomic coordinates... the force field is just that maths used to > calculate them... > >> I am wondering whether or not these calculations should be made in the >> context of CDK. >> >> Perhaps the JmolModelAdapter can be extended to allow one to pass sets >> of coordinates that define a shape. That would allow Jmol to display >> the orbital calculations that are already part of CDK. > > IIRC, the force field will be part of CDK, but I guess the cvs write > access is needed to add menu's to Jmol?? But maybe, the developer can > better make a plugin for it? Then he does not need Jmol write access at > all... > > Egon > > > ------------------------------------------------------- > This SF.net email is sponsored by: SF.net Giveback Program. > Does SourceForge.net help you be more productive? Does it > help you create better code? SHARE THE LOVE, and help us help > YOU! Click Here: http://sourceforge.net/donate/ > _______________________________________________ > Jmol-developers mailing list > [EMAIL PROTECTED] > https://lists.sourceforge.net/lists/listinfo/jmol-developers -------------------------------------------------- Miguel Howard [EMAIL PROTECTED] c/Pe�a Primera 11-13 esc dcha 6B 37002 Salamanca Espa�a Spain -------------------------------------------------- telefono casa 923 27 10 82 movil 650 52 54 58 -------------------------------------------------- To call from the US dial 9:00 am Pacific US = home 011 34 923 27 10 82 12:00 noon Eastern US = cell 011 34 650 52 54 58 6:00 pm Spain -------------------------------------------------- ------------------------------------------------------- This SF.net email is sponsored by: SF.net Giveback Program. Does SourceForge.net help you be more productive? Does it help you create better code? SHARE THE LOVE, and help us help YOU! Click Here: http://sourceforge.net/donate/ _______________________________________________ Jmol-developers mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-developers
