Information mathematical model
Hi, I'm doing a consultation on the mathematical model that works UCSF Chimera. I appreciate that you could provide that information. This query only has academic purposes. Excuse me, I don't speak English. Best regard, Vladimir Quintero León Departamento de Química Facultad de Ciencia y Tecnología Universidad Pedagógica Nacional Bogotá, Colombia.
Hi Vladimir, I’m not 100% certain what your question means, but if you’re asking what the units of Chimera’s coordinate system is, they’re angstroms. Otherwise, if you’re asking about some specific feature of Chimera, please try to elaborate. You also might consider asking an English-speaking colleague to try to help you formulate the question, or run your question through translate.google.com and use the result. —Eric Eric Pettersen UCSF Computer Graphics Lab
On Apr 22, 2016, at 8:33 AM, VLADIMIR QUINTERO LEON <dqu_vquintero714@pedagogica.edu.co> wrote:
Hi, I'm doing a consultation on the mathematical model that works UCSF Chimera. I appreciate that you could provide that information. This query only has academic purposes.
Excuse me, I don't speak English.
Best regard,
Vladimir Quintero León Departamento de Química Facultad de Ciencia y Tecnología Universidad Pedagógica Nacional Bogotá, Colombia. _______________________________________________ Chimera-users mailing list: Chimera-users@cgl.ucsf.edu <mailto:Chimera-users@cgl.ucsf.edu> Manage subscription: http://plato.cgl.ucsf.edu/mailman/listinfo/chimera-users <http://plato.cgl.ucsf.edu/mailman/listinfo/chimera-users>
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. ________________________________ De: Eric Pettersen <pett@cgl.ucsf.edu> Enviado: lunes, 25 de abril de 2016 16:30 Para: VLADIMIR QUINTERO LEON Cc: chimera-users@cgl.ucsf.edu Asunto: Re: [Chimera-users] Information mathematical model Hi Vladimir, I'm not 100% certain what your question means, but if you're asking what the units of Chimera's coordinate system is, they're angstroms. Otherwise, if you're asking about some specific feature of Chimera, please try to elaborate. You also might consider asking an English-speaking colleague to try to help you formulate the question, or run your question through translate.google.com<http://translate.google.com> and use the result. [http://upload.wikimedia.org/wikipedia/commons/thumb/3/30/Googlelogo.png/220px-Googlelogo.png]<http://translate.google.com/> Google Translate<http://translate.google.com/> translate.google.com Google's free service instantly translates words, phrases, and web pages between English and over 100 other languages. English, Afrikaans, Albanian, Amharic, Arabic ... -Eric Eric Pettersen UCSF Computer Graphics Lab On Apr 22, 2016, at 8:33 AM, VLADIMIR QUINTERO LEON <dqu_vquintero714@pedagogica.edu.co<mailto:dqu_vquintero714@pedagogica.edu.co>> wrote: Hi, I'm doing a consultation on the mathematical model that works UCSF Chimera. I appreciate that you could provide that information. This query only has academic purposes. Excuse me, I don't speak English. Best regard, Vladimir Quintero León Departamento de Química Facultad de Ciencia y Tecnología Universidad Pedagógica Nacional Bogotá, Colombia. _______________________________________________ Chimera-users mailing list: Chimera-users@cgl.ucsf.edu<mailto:Chimera-users@cgl.ucsf.edu> Manage subscription: http://plato.cgl.ucsf.edu/mailman/listinfo/chimera-users
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....> 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.
participants (3)
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Elaine Meng -
Eric Pettersen -
VLADIMIR QUINTERO LEON