[phenixbb] map calculation

Chen Chen chene at umbi.umd.edu
Wed Aug 27 09:53:51 PDT 2008

Dear all,
I am having a question about map calcultation.
I want to calculate a 2mFo-DFc map and a mFo-DFc map to 2.0 angstrom 
from xxx.pdb and yyy.mtz, and zzz.cif should be supplied.
Unit cell dimension and symmetry information is in the mtz file.
It seems that phenix.maps can do the job, but I did not find a good 
document on how to run it. In its help information, a parameter file is 
I tried do use parameter file for refinement, which has been 
successfully used for phenix.refine, and I ran the command
phenix.maps --unused_ok yyy.mtz xxx.pdb refine.param
but phenix.maps report the error

Traceback (most recent call last):
  File "/home/chene/phenix-1.3b-rc6/mmtbx/mmtbx/command_line/maps.py", 
line 7, in <module>
  File "/home/chene/phenix-1.3b-rc6/mmtbx/mmtbx/maps.py", line 173, in run
    log           = log)
  File "/home/chene/phenix-1.3b-rc6/mmtbx/mmtbx/maps.py", line 214, in 
    self.data = utils.determine_data(
AttributeError: 'module' object has no attribute 'determine_data'

Does anyonw know what I should do to get the maps?

Chen Chen, Ph. D., Research Associate
Center for Advanced Research in Biotechnology (CARB),
University of Maryland Biotechnology Institute (UMBI),
9600 Gudelsky Drive, Rockville, MD 20850
Office Phone: 240-314-6122

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