Editing CNS maps for SETOR input.
To read in an X-PLOR electron density map you need to run the conversion program
setor_map
However, SETOR does not like the CNS maps. To fix this one must delete the REMARKS lines at the top of the map and change the 2nd line to reflect the new number of comment lines.
For example, this is how it may look before editing:
17 !NTITLE
REMARKS FILENAME="model_map.map"
REMARKS (2 m|Fo| - 1 D|Fc|)e^(i phi_calc) cross-validated sigmaa map r= 0.2232 free_r= 0.2741
REMARKS reflections with |Fobs|/sigma_F < 2.0 rejected
REMARKS reflections with |Fobs| > 10000 * rms(Fobs) rejected
REMARKS theoretical total number of refl. in resol. range: 17489 ( 100.0 % )
REMARKS number of unobserved reflections (no entry or |F|=0): 1101 ( 6.3 % )
REMARKS number of reflections rejected: 1049 ( 6.0 % )
REMARKS total number of reflections used: 15339 ( 87.7 % )
REMARKS number of reflections in working set: 13800 ( 78.9 % )
REMARKS number of reflections in test set: 1539 ( 8.8 % )
REMARKS bulk solvent: density level= 0.318367 e/A^3, B-factor= 25.3137 A^2
REMARKS B-correction resolution: 6.0 - 2.8
REMARKS initial B-factor correction applied to fobs :
REMARKS B11= -8.59266 B22= -8.59266 B33= 17.1853
REMARKS B12= -15.4422 B13= 0 B23= 0
REMARKS B-factor correction applied to coordinate array B: 0.139
REMARKS DATE:18-Dec-97 15:50:30 created by user:
162 80 162 162 -34 69 192 60 132
0.14700E+03 0.14700E+03 0.16890E+03 0.90000E+02 0.90000E+02 0.12000E+03
ZYX
0
And after editing (note changed the 17 [which is the number of comment lines] to 0):
0 !NTITLE
162 80 162 162 -34 69 192 60 132
0.14700E+03 0.14700E+03 0.16890E+03 0.90000E+02 0.90000E+02 0.12000E+03
ZYX
0
-0.85636E-01 0.14385E+00 0.12131E+01 0.21649E+01 0.24067E+01 0.21617E+01
0.15915E+01 0.11908E+01 0.16569E+01 0.21765E+01 0.11832E+01-0.65612E+00
-0.11646E+01-0.34919E+00-0.18760E+00-0.10158E+01-0.12825E+01-0.62223E+00
-0.29062E+00-0.71481E+00-0.10167E+01-0.78002E+00-0.48834E+00-0.52516E+00
Thanks to Gretchen Meinke.