Dear Vladimir, Chimera does not do any quantum mechanics. Chimera does have some molecular mechanics capabilities, but these are all through the MMTK package. So the force field equation is what is available in MMTK, and the parameter options are described in the "Force Field Parameters" in this page and links therein: <http://www.rbvi.ucsf.edu/chimera/docs/ContributedSoftware/minimize/minimize.html> Chimera has many other calculations of different kinds and each involves its own equations. You would need to look at the manual page for the specific tool to see details. <http://www.rbvi.ucsf.edu/chimera/docs/UsersGuide/framecontrib.html> I hope this helps, Elaine ---------- Elaine C. Meng, Ph.D. UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab Department of Pharmaceutical Chemistry University of California, San Francisco
On Apr 25, 2016, at 2:55 PM, VLADIMIR QUINTERO LEON <dqu_vquintero714@pedagogica.edu.co> wrote:
Hello Eric,
Thank you for answering. My question refers to the type of mathematical model or method that possesses Chimera, for example, if it is based on the equation of Schrödinger, semiempirical method, model of Hückel, methods of quantum mechanics, molecular mechanics, among others. If you use either of those models or methods to represent and model molecular structures, etc.
Thank you.
Vladimir Quintero Leon Department of chemistry Faculty of science and technology National Pedagogical University Bogotá, Colombia.