> > I rather like to have a flat model and then see it wiggle once the > [optimize] button is pressed. The idea of adding filter "2D" was to > solve this rather systematic problem in trisubstituted carbons. But > it seems that the filter makes no difference to this respect. > I've been working on a similar project this summer and filter "2D" removed the problem of trisubstituted carbons.
http://librairiedemolecules.education.fr/outils/scribmol/ ChemDoodle web components export coordinates as 2D (expect if they have been input as 3D previously). I also implemented an optimisation function that loads models from the cactus server using Jmol's smile output. ------------------------------------------------------------------------------ BlackBerry® DevCon Americas, Oct. 18-20, San Francisco, CA Learn about the latest advances in developing for the BlackBerry® mobile platform with sessions, labs & more. See new tools and technologies. Register for BlackBerry® DevCon today! http://p.sf.net/sfu/rim-devcon-copy1 _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
