Thanks! PHENIX sounds magic. It makes many thing easy to handle. I must try it.
Thank you all. On 2/21/07, Pavel Afonine <[EMAIL PROTECTED]> wrote:
Dear Jiamu Du: You can do annealing using phenix.refine (part of CCI APPS and PHENIX). With the latest version of CCI APPS (part of PHENIX) it is possible to refine any part of a model in any combination as: - individual coordinates; - individual ADP ; - individual occupancies; - rigid body; - TLS; - group isotropic ADP; - combined TLS + individual ADP; - Simulated Annealing; Also it can be combined with water picking. For example, this powerful combination can be done in ONLY ONE (!) refinement run : "rigid body + Simulated Annealing + group B + individual B + TLS + individual XYZ + water picking"; so you can really go from your rough model to the final one. For more info and ready to go examples, go to http://www.phenix-online.org/download/cci_apps and check out "Documentation" and "Quick Facts" (right next to phenix.refine link) or simply ask me. And more: you don't need to bother with file formats, since PHENIX automatically recognizes most of the known data formats (CNS, SHELX, mtz, ...). Please let me know if you have any questions. Cheers, Pavel. Jiamu Du wrote: > Dear All: > Only by using CCP4, how to perform anneal refinement ? > Thanks > -- > Jiamu Du > Key Laboratory of Proteomics > Institute of Biochemistry and Cell Biology Shanghai Institutes for > Biological Sciences > Chinese Academy of Sciences (CAS)
-- Jiamu Du Key Laboratory of Proteomics Institute of Biochemistry and Cell Biology Shanghai Institutes for Biological Sciences Chinese Academy of Sciences (CAS)
