Otis, Are you transferring the JME structure as a Smiles string or as a JME string. The latter has more information in it.
Bill Otis Rothenberger wrote: > Bill, > > Thanks for the comments. The 2D to 3D translation is an ongoing problem > for us. The JME editor is light weight and it can be embedded directly > in the application, but it passes only 2D information to Jmol. Jmol > tries to sort this out with the UFF minimization. With really simple > molecules this works, but there are serious limitations. We actually > have two alternative options, and we need to discuss this in the users > manual, a current high priority! > ------------------------------------------------------------------------------ Download Intel® Parallel Studio Eval Try the new software tools for yourself. Speed compiling, find bugs proactively, and fine-tune applications for parallel performance. See why Intel Parallel Studio got high marks during beta. http://p.sf.net/sfu/intel-sw-dev _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
