[phenixbb] occ are not zerp

Kenneth A. Satyshur satyshur at wisc.edu
Fri Aug 26 13:42:06 PDT 2011


I am running omit map on pdb file and I get 
Failed to carry out AutoBuild_build_cycle:

Initial phenix refinement of AutoBuild_run_22_/edited_pdb.pdb with exptl_fobs_phases_freeR_flags.mtz failed...quitting...
/usr/keck/u1/PriA/APS_Aug2011/phasing/AutoBuild_run_22_/LAST.LOG may have additional information...
All occupancies in input PDB file are zero.


yet

CRYST1   85.433   85.433  111.682  90.00  90.00 120.00 P 32                     
SCALE1      0.011705  0.006758  0.000000        0.00000                         
SCALE2      0.000000  0.013516  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.008954        0.00000                         
ATOM    931  N   ALA N 308       4.340 -30.086  -9.129  1.00 39.02           N
ATOM    932  CA  ALA N 308       4.553 -29.451 -10.458  1.00 38.92           C
ATOM    933  CB  ALA N 308       3.225 -29.326 -11.198  1.00 38.66           C
ATOM    934  C   ALA N 308       5.202 -28.079 -10.295  1.00 37.85           C
ATOM    935  O   ALA N 308       5.278 -27.555  -9.185  1.00 38.80           O
ATOM    936  N   ALA N 309       5.633 -27.505 -11.414  1.00 36.99           N
ATOM    937  CA  ALA N 309       6.216 -26.142 -11.498  1.00 37.18           C
ATOM    938  CB  ALA N 309       5.194 -25.019 -11.222  1.00 36.42           C
ATOM    939  C   ALA N 309       7.457 -25.985 -10.646  1.00 34.05           C
ATOM    940  O   ALA N 309       7.404 -26.148  -9.436  1.00 31.65           O
ATOM    941  N   ALA N 310       8.570 -25.673 -11.311  1.00 34.03           N
ATOM    942  CA  ALA N 310       9.883 -25.614 -10.696  1.00 34.33           C
ATOM    943  CB  ALA N 310      10.332 -24.166 -10.573  1.00 31.89           C
ATOM    944  C   ALA N 310       9.895 -26.350  -9.337  1.00 36.59           C
ATOM    945  O   ALA N 310      10.250 -25.773  -8.304  1.00 40.46           O
ATOM    946  N   ALA N 311       9.479 -27.623  -9.364  1.00 36.20           N
ATOM    947  CA  ALA N 311       9.321 -28.471  -8.174  1.00 33.93           C
ATOM    948  CB  ALA N 311       8.446 -29.664  -8.503  1.00 34.46           C
ATOM    949  C   ALA N 311      10.659 -28.948  -7.641  1.00 32.37           C
ATOM    950  O   ALA N 311      10.943 -30.156  -7.619  1.00 31.59           O
ATOM    951  N   ALA N 312      11.479 -27.982  -7.229  1.00 30.93           N
ATOM    952  CA  ALA N 312      12.821 -28.234  -6.694  1.00 30.94           C
ATOM    953  CB  ALA N 312      12.740 -28.872  -5.308  1.00 30.60           C
ATOM    954  C   ALA N 312      13.680 -29.080  -7.647  1.00 30.22           C
ATOM    955  O   ALA N 312      13.405 -29.148  -8.853  1.00 32.14           O
ATOM    956  N   PRO N 313      14.739 -29.702  -7.116  1.00 28.06           N
ATOM    957  CA  PRO N 313      15.519 -30.706  -7.852  1.00 27.14           C
ATOM    958  CB  PRO N 313      16.820 -30.771  -7.044  1.00 27.81           C
ATOM    959  CG  PRO N 313      16.871 -29.482  -6.264  1.00 28.11           C
they don't look zero to me.

anyone get this error?


--
Kenneth A. Satyshur, M.S.,Ph.D.
Associate Scientist
University of Wisconsin
Madison, Wisconsin 53706
608-215-5207
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