Thanks for your comments, Park On 6 Apr 2008 at 14:30, Park Won-Kyu wrote: > I think the combination of the JME + Jmol is the possible one.
Yes, and also JChemPaint + Jmol (which is what I'm working with; both Open Source applets). > and the PR #1830352 implement *moving atom* with ALT + mouse LEFT button. I can't do Java, but I'm testing a system to make a manually-assisted inversion of configuration around the asymmetric carbon and so get the correct stereochemistry in case Jmol has gotten it wrong during minimization. > > I realize the implications for the calculation are heavy, and it may even > > be undesirable to > > have it active by default --could be a toggle option--. > > maybe smaller step limitaion needed by default. Humm... Perhaps that could make a difference, yes. There must be already in place a parameter in Jmol to control the step. I can't find it right now. ------------------------------------------------------------------------- This SF.net email is sponsored by the 2008 JavaOne(SM) Conference Register now and save $200. Hurry, offer ends at 11:59 p.m., Monday, April 7! Use priority code J8TLD2. http://ad.doubleclick.net/clk;198757673;13503038;p?http://java.sun.com/javaone _______________________________________________ Jmol-developers mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-developers
