[phenixbb] fem map

nih\mayerm mayerm at mail.nih.gov
Wed Oct 23 10:10:30 PDT 2013


Hi,

I'm trying to make a fem amp using phenix-1.8.4-1496 using my refined structure and mtz with map coefficients as input:
phenix.development.fem 3222_Glu_refine_78.mtz 3222_Glu_refine_78.pdb

coot 0.7.0-1 fails to generate a map when fem.mtz is opened, either in auto or manual mode

mtzdmp for fem.mtz gives:

 Col Sort    Min    Max    Num      %     Mean     Mean   Resolution   Type Column
 num order               Missing complete          abs.   Low    High       label 

   1 NONE   -37      35      0  100.00     -5.0     14.2  61.69   1.21   H  H
   2 NONE     0     101      0  100.00     38.0     38.0  61.69   1.21   H  K
   3 NONE     0      44      0  100.00     16.8     16.8  61.69   1.21   H  L
   4 NONE    0.0  1796.7 25825   84.81    84.67    84.67  31.87   1.21   F  2mFoDFc
   5 NONE -180.0   180.0 25825   84.81     1.07    90.28  31.87   1.21   P  PHI2mFoDFc
   6 NONE    0.0  2750.2     0  100.00   144.76   144.76  61.69   1.21   F  2mFoDFc_FilSharp
   7 NONE -180.0   180.0     0  100.00     1.26    90.34  61.69   1.21   P  PHI2mFoDFc_FilSharp
   8 NONE    0.2 24426.8     0  100.00   235.27   235.27  61.69   1.21   F  KICK
   9 NONE -180.0   180.0     0  100.00     0.02    89.63  61.69   1.21   P  PHIKICK
  10 NONE    0.2  9283.0     0  100.00   132.01   132.01  61.69   1.21   F  FEM
  11 NONE -180.0   180.0     0  100.00     0.23    90.34  61.69   1.21   P  PHIFEM

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