I agree with Angel. I think Jmol should be a professional-level display tool and there should be an educational-level tool for the molecule manipulation functions. The focus/needs of the two groups are different enough that one program is never going to satisfy the two groups and the compromises necessary to attempt to do that will end up making an unsatisfactory product.
Rich Angel Herráez wrote: > I have mixed feelings about this idea. On the one hand, it is > exciting to think that Jmol could do this. On the other, I'm not sure > if it should expand into this land, or leave it to other software. > > Although I have not used it regularly, the most similar idea I know > is Avogadro --open source too. It allows you to build the model from > scratch and optimizes the geometry continuously. In fact, you can > drag atoms around at any time and they keep readjusting IIRC (well, > the same Jmol does now in "set picking dragMinimize" mode :-) ). > I find Avogadro's interface uncomfortable, though, at least for a > casual user --a personal view. > > Also, I doubt that medicinal chemists would abandon their specialized > tools in favour of a Jmol editor. It may better aim at teaching > purposes. > > ------------------------------------------------------------------------------ _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
