[phenixbb] missing map coefficients
Anne Mølgaard
anne at kemi.ku.dk
Thu Jan 15 02:20:05 PST 2009
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
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