Yes, very cool and easy to use, perhaps too easy? My concern is the limitations of the minimisation which will lead to high energy "minima". e.g. Cis decalin becomes chair-boat instead of chair-chair, biphenyl is flat, simple amides are not planar. This is not Jmol's fault per se but could be misleading.
Otherwise works nicely. All the best Nick -- 3D Organic Animations http://www.chemtube3d.com Tel: +44 (0)151-794-3506 (3500 secretary) Subject: [Jmol-users] well, what do you know? Jmol and JME 2D to 3D To: jmol-users@lists.sourceforge.net Message-ID: <o2sba9c0bd61004102152r2848f768x43d726fab5e02...@mail.gmail.com> Content-Type: text/plain; charset="iso-8859-1" OK! Here we go! Super simple 2D to 3D. The JME-Jmol connection has gone unused for too long. With today's 12.0.RC5 addition of reading bond stereochemistry, Jmol now does a pretty decent job of translating 2D into 3D -- admittedly this is not going to solve all problems, but give it a try: http://chemapps.stolaf.edu/jmol/docs/examples-11/new.htm Cool, eh? ------------------------------------------------------------------------------ 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
