I have introduced a new package into Jmol and reorganized the symmetry/spacegroup business mostly out of the adapter. The problem was that of course space group considerations are not just aspects of readers. I have just sent a message to users introducing them to these capabilities. From a development perspective, we now have quite a nice little library of Java methods for handling space groups. Certainly not a full as it could be, but I have to draw the line at some point, and I think this might be it: We can read space group symbols (Hermaan-Mauguin as well as Hall) and international table numbers. Jmol can be used to visualize those groups simply by using a simple file and then loading it with different space groups indicated on the "load" command line.
The three new classes include: SpaceGroup -- the highest level class SymmetryOperation -- a class to hold any single Hall rotation term HallInfo -- methods for using Hall symbols I'll try to check this in now. Bob ------------------------------------------------------------------------- Using Tomcat but need to do more? Need to support web services, security? Get stuff done quickly with pre-integrated technology to make your job easier Download IBM WebSphere Application Server v.1.0.1 based on Apache Geronimo http://sel.as-us.falkag.net/sel?cmd=lnk&kid=120709&bid=263057&dat=121642 _______________________________________________ Jmol-developers mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-developers
