Well, what do you know? see http://www.stolaf.edu/people/hansonr/jmol/test/proto/isosurface.htm
Thank you, Won Kyu Park, Will Polik, and JR Schmidt for your excellent input in this regard. Still more to do, but I thought I would give people a taste of what's to come. The coding is very concise -- just a minor variation on the isosurface theme. Still largely untested, but it's pretty fast, I think, at least for small molecules. After the 4th of July holiday I'll get back to this and finish it up. In the mean time, if people know file formats that have the gaussian (or otherwise) bases and molecular orbital coefficients present, please send me examples so I can incorporate those formats. Right now I only set it up for WebMO .MO files. But SMOL comes to mind.... Bob Hanson 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
