Hi Mavis, you can do it in Phenix. Command line tool for this is: phenix.real_space_refine. Just give it map and model and see what happens, like this: phenix.real_space_refine model.pdb ccp4_formatted_map.map I wrote this program specifically to do various kinds of model refinement against the map, with the main focus on EM maps. Have a look at the article that briefly describes it here: http://www.phenix-online.org/newsletter/CCN_2013_07.pdf "New tool: phenix.real_space_refine". The article is from last year but I haven't done much since then so it pretty much documents the current state of the art. Should you have any questions or problems or need any help with this please let me know off list. All the best, Pavel On 2/14/14, 8:45 AM, Agbandje-Mckenna,Mavis wrote:
Dear Pavel,
I don't believe we have met, but you have received several e-mails from people in my group (including Sujata (Tina) Halder) and also helped them with their use of Phenix - thank you.
I have a question for you regarding real space refinement in Phenix. We have a 3.7 Angs cryo-EM reconstructed structure for a virus capsid and we have been able to build a model for the capsid VP using COOT. I would like to refine this model further against the map using real space refinement. I am trying to find a suitable program that would allow me to do this. I believe Phenix can do it, but I am not sure. Could you give me some direction?
Thanks in advance.
Best wishes
Mavis
Mavis Agbandje-McKenna, Ph.D. Director, Center for Structural Biology Professor, Dept. of Biochemistry and Molecular Biology Center for Structural Biology The McKnight Brain Institute P.O. Box 100245 Tel.: 1-352-392-5694 University of Florida Fax.: 1-352-392-3422 Gainesville, FL 32610-0245 e-mail: [email protected] Website: http://msg.mbi.ufl.edu