[phenixbb] phenix-cns conversion

[Sean Johnson]

What is the best way to convert phases obtained from phenix to a usable 
cns format?  I have 3.6 A maps that were SAD phased and density modified 
using phenix.  I now want to use some of the cns refinement options - 
like torsion angle refinement.  I tried converting structure factors and 
HL coefficients to cns format using phenix.reflection_file_converter, 
but when I run cns input files, I start getting errors like the ones 
shown below (this is from density_modify.inp):

_____
 Program version= 1.2 File version= 1.2
 %XMAPASU-AUTOmem: increasing memory allocation to    2000000
 Minimum brick that covers asymmetric unit:
   A=     0,...,   150  B=     0,...,   150  C=     0,...,    36
 Sum of     21042 elements =             21042.0000
 SHOW: average of    810150 elements=                 0.0000
 ANOMalous=FALSe {OFF}
 XMPST: average =   0.0000  minimum =   0.0000  maximum =   0.0000
 XMPST: r.m.s.  =   0.0000     norm =   0.0000
 XMHISTO: (default from map) RHOMIN and RHOMAX =   0.0000   0.0000
 %XMHISTO-ERR:  a complete flat map.
 XMHISTO: (default from map) SLOT width =  0.000000
 %XMHISTO-ERR: the SLOT width is too small   0.00000
 XMHISTO: the number of slots MBINS=10000 and width SLOT=   0.0000
 %XDOTYPE-ERR: Variable/type mismatch:
      do (masksol=1) (real(automap) <= $cutoff)
                                              ^
 %DO-ERR: Data type mismatch.  Selection must be a logical expression.:
      do (masksol=1) (real(automap) <= $cutoff)
                                              ^
 %SHOW error encountered: There were errors in DO expression.
   (CNS is in mode: SET ABORT=NORMal END)
 *****************************************************
 ABORT mode will terminate program execution.
 *****************************************************
 Program will stop immediately.
______

I'm guessing that the problem has to do with the way I am converting the 
data to cns (since I have beautiful maps from phenix), but I'm really 
stuck right now.  Any guidance would be appreciated.

Thanks,
Sean Johnson

-- 
Sean Johnson, PhD
R. Gaurth Hansen Assistant Professor
Utah State University
Department of Chemistry and Biochemistry
0300 Old Main Hill
Logan, UT 84322-0300
(435) 797-2089
(435) 797-3390 (fax)
sean.johnson at usu.edu