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
