I am new to Phenix, so there
might be an easy explanation for this problem, though I have not been able to
find a solution in the documentation. I am using phenix version 1.3b-rc4,
intel-linux-2.6.
I have solved a structure
using phenix.automr, followed by phenix.autobuild (run from command line using
"phenix.autobuild data=fromXDS_unique.mtz model=AutoMR_run_2_/MR.1.pdb
seq_file=sequence.fas"). The program runs succesfully, and I get the
output files I should expect. However, the overall_best_refine_map_coeffs.mtz
does not contain the map coefficients 2FOFCWT PH2FOFCWT for the 2mFo-DFc map
and FOFC and PHFOFC for the Fo-Fc difference map. mtzdmp gives me the following
columns:
1 ASC 0 28
0 100.00 10.6 10.6 28.28 1.85 H H
2 NONE 0 35
0 100.00 13.3 13.3 28.28 1.85 H K
3 NONE 0 71
0 100.00 26.6 26.6 28.28 1.85 H L
4 NONE 1.0 1888.8
0 100.00 148.71 148.71 28.28 1.85 F FP
5 BOTH 1.0 1.0
0 100.00 1.00 1.00 28.28 1.85 Q SIGFP
6 NONE -180.0 180.0
0 100.00 2.08 90.23 28.28 1.85 P PHIM
7 BOTH 1.000 1.000
0 100.00 1.000 1.000 28.28 1.85 W FOMM
8 NONE .0 19.0
0 100.00 9.50 9.50 28.28 1.85 I FreeR_flag
9 BOTH .0 .0
0 100.00 .00 .00 28.28 1.85 F FC
What should I do to get these
map coefficients?
Thanks for your help!
Best regards,
Anne