On Monday 05 February 2007, Glennie Helles wrote: > I would like to use the zmatrixToCartesian() method, but I think I might > be doing something wrong. I have manually enter the following values into > the form on the "Z-matrix to Cartesian Coordinates Conversion Page" > (http://www.shodor.org/chemviz/zmatrices/babel.html)
<snip> > which is clearly NOT the same. Am I doing something wrong? Mmmm... need to look into this. Please file it as bug report. I was looking at the code last week, to implement missing JUnit tests, to make sure it worked properly, but could not figure it out... Might you be doing something wrong, it is really the fault of lack of example and documentation... I'll get back on this asap. Egon -- [EMAIL PROTECTED] Cologne University Bioinformatics Center (CUBIC) Blog: http://chem-bla-ics.blogspot.com/ GPG: 1024D/D6336BA6 ------------------------------------------------------------------------- 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 _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
