I would love to see this feature improved! Try it out if you have never used it. It works quite well. It is quite processor intensive and it can take over your computer when it is running…. I have also found when you uncheck it in the menu, it will still continue to run and I end up force quitting to get it to stop.
> On Nov 23, 2015, at 8:46 AM, Albert <mailmd2...@gmail.com> wrote: > > Hello: > > I just found a a very nice module of pymol, called "Molecular > Sculpting". However, according to the description in Pymolwiki, it works > like a real-time energy minimizer, except that it isn't minimizing the > energy. Instead, its just trying to return local atomic geometries > (bonds, angles, chirality, planarity) to the configuration the molecules > possess when they were first loaded into PyMOL. > > So I am just wondering does the developer have any planning to improve > this nice too? For instance introducing forcefiled for this tool (eg: > Amber FF for protein, GAFF for the ligand). There is a "optimize" plugin > in Pymol, maybe the developer can consider merge them together? > > Thank you very much > > Albert > > ------------------------------------------------------------------------------ > Go from Idea to Many App Stores Faster with Intel(R) XDK > Give your users amazing mobile app experiences with Intel(R) XDK. > Use one codebase in this all-in-one HTML5 development environment. > Design, debug & build mobile apps & 2D/3D high-impact games for multiple OSs. > http://pubads.g.doubleclick.net/gampad/clk?id=254741551&iu=/4140 > _______________________________________________ > PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) > Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users > Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net H. Adam Steinberg 7904 Bowman Rd Lodi, WI 53555 608/592-2366 ------------------------------------------------------------------------------ Go from Idea to Many App Stores Faster with Intel(R) XDK Give your users amazing mobile app experiences with Intel(R) XDK. Use one codebase in this all-in-one HTML5 development environment. Design, debug & build mobile apps & 2D/3D high-impact games for multiple OSs. http://pubads.g.doubleclick.net/gampad/clk?id=254741551&iu=/4140 _______________________________________________ PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net
