Otis, By all means trust Bob's advice. I was interested in your approach inasmuch as the Dundee Server nicely converts simple JME structures into PDB files that yield beautiful Jmol displays, but does so in a stepwise fashion. http://davapc1.bioch.dundee.ac.uk/prodrg/index.html
Bill Otis Rothenberger wrote: > Bill, > > Bob's comment is right on the mark. The fastest route to a model of > choice is selecting the best parent and then building by click/replace > of the hydrogen atoms, which are already in reasonable stereo positions. > In this case, the cyclohexane parent already has the appropriate chair > with correct axial and equatorial hydrogens. Tom and I need to get a > good list of small parent hydrocarbon models. As per my previous note, I > also need to make the build by atom addition tool much less conspicuous. > > JME to Jmol does a pretty good job on alkanes and alkenes. Alkynes are a > problem - not linear. The addition of a set of cyclic hydrocarbon > templates would be good. > > Otis > > ------------------------------------------------------------------------------ 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
