[phenixbb] The performance of phenix.refine

Jianghai Zhu jzhu at cbr.med.harvard.edu
Thu Mar 22 07:02:00 PDT 2007


Did anybody actually compare the performance among phenix.refine, CNS  
and refmac5?  I am trying the phenix.refine from the latest CCI  
bundle for my refinement.  I have a relative large structure (800 kD  
unique) and unit cell (140, 160, 550, 90, 90, 90).  The data is at  
low resolution ( 3.8 A) with experimental phases.  My impression is  
that phenix.refine takes a much longer time to finish the jobs, say  
rigid body refinement or SA refinement, and it also takes a lot more  
memories ( in my case, phenix.refine uses more than 700 MB, but other  
programs use less than 200 MB).  Is this because the python code in  
phenix.refine? CNS and refmac5 are written in FROTRAN, I think.  Just  


Jianghai Zhu, Ph.D
CBR Institute for Biomedical Research
Department of Pathology
Harvard Medical School
200 Longwood Ave., Boston, MA 02115
Ph: 617-278-3211
Fx: 618-278-3232

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