Re: [ccp4bb] a more intelligent mapsig question

2014-10-22 Thread Eleanor Dodson
You have a gris 48 48 304 so need map 0 47 0 47 0 303 I guess.

It should work I thought with asymm unit though
Eleanor

On 20 October 2014 15:22, Scott Horowitz horow...@umich.edu wrote:

 Hi all,

 Now that I have mapsig running, I am getting an error message that I am
 confused by. The maps I am using are anomalous maps generated by FFT.
 Originally, I had them covering just the asymmetric unit, but based on the
 error message below, I then redid it where I covered a user defined extent,
 where I went from 0 to the cell size for each axis, but the error message
 stayed the same, which means perhaps I'm misunderstanding what it means.
 Any help would be great, and the whole output is pasted below.

 Thanks,
 Scott

 bash-3.2$ mapsig mapin H96LY10I01_14combfull.map mapin2
 H96LY10I01_6pt5combfull.map type ratio mapout test.map
 BFONT COLOR=#FF!--SUMMARY_BEGIN--
 pre

  ###
  ###
  ###
  ### CCP4 6.4: MAPSIG   version 6.4 : ##
  ###
  User: horowsah  Run date: 20/10/2014 Run time: 10:20:01


  Please reference: Collaborative Computational Project, Number 4. 1994.
  The CCP4 Suite: Programs for Protein Crystallography. Acta Cryst. D50,
 760-763.
  as well as any specific reference in the program write-up.

 !--SUMMARY_END--/FONT/B


  #
  # TRANSLATION FUNCTION MAP SIGNAL ANALYSIS. #
  #


  BE WARNED THAT THIS PROGRAM ASSUMES PERIODIC MAP BOUNDARIES,
  (I.E. THE LEFT-HAND EDGE ABUTS ONTO THE RIGHT-HAND EDGE) AND
  THEREFORE MAY NOT LOCATE PEAKS AT THE EDGES OF THE MAP
  CORRECTLY IN OTHER CASES.  IN SUCH CASES THE MAP SHOULD BE
  EXPANDED IN ONE OR MORE DIRECTIONS TO MAKE IT PERIODIC IN ALL
  DIRECTIONS.
 BFONT COLOR=#FF!--SUMMARY_BEGIN--
 html !-- CCP4 HTML LOGFILE --
 hr
 !--SUMMARY_END--/FONT/B

  Logical Name: MAPIN   Filename: H96LY10I01_14combfull.map

 File name for input map file on unit   1 : H96LY10I01_14combfull.map
 file size 1917228 ; logical name MAPIN



Number of columns, rows, sections ...   43   43  259
Map mode 2
Start and stop points on columns, rows, sections 0   42
  0   420  258
Grid sampling on x, y, z    48   48  304
Cell dimensions .   42.7000
  42.7000   258.299890.90.90.
Fast, medium, slow axes .YXZ
Minimum density .-0.04944
Maximum density . 0.19449
Mean density -0.0
Rms deviation from mean density . 0.01025
Space-group .   91
Number of titles 1


  Labels:
   [No title given]



  Translation modulus =   43   43  259
  *** ERROR - space group must be P1 if whole cell not given.



 --
 Scott Horowitz, Ph.D.
 Research Associate
 Howard Hughes Medical Institute

 University of Michigan
 Department of Molecular, Cellular, and Developmental Biology
 Bardwell lab
 830 N. University Ave, Room 4007
 Ann Arbor, MI 48109
 phone: 734-647-6683
 fax: 734-615-4226



[ccp4bb] a more intelligent mapsig question

2014-10-20 Thread Scott Horowitz
Hi all,

Now that I have mapsig running, I am getting an error message that I am
confused by. The maps I am using are anomalous maps generated by FFT.
Originally, I had them covering just the asymmetric unit, but based on the
error message below, I then redid it where I covered a user defined extent,
where I went from 0 to the cell size for each axis, but the error message
stayed the same, which means perhaps I'm misunderstanding what it means.
Any help would be great, and the whole output is pasted below.

Thanks,
Scott

bash-3.2$ mapsig mapin H96LY10I01_14combfull.map mapin2
H96LY10I01_6pt5combfull.map type ratio mapout test.map
BFONT COLOR=#FF!--SUMMARY_BEGIN--
pre

 ###
 ###
 ###
 ### CCP4 6.4: MAPSIG   version 6.4 : ##
 ###
 User: horowsah  Run date: 20/10/2014 Run time: 10:20:01


 Please reference: Collaborative Computational Project, Number 4. 1994.
 The CCP4 Suite: Programs for Protein Crystallography. Acta Cryst. D50,
760-763.
 as well as any specific reference in the program write-up.

!--SUMMARY_END--/FONT/B


 #
 # TRANSLATION FUNCTION MAP SIGNAL ANALYSIS. #
 #


 BE WARNED THAT THIS PROGRAM ASSUMES PERIODIC MAP BOUNDARIES,
 (I.E. THE LEFT-HAND EDGE ABUTS ONTO THE RIGHT-HAND EDGE) AND
 THEREFORE MAY NOT LOCATE PEAKS AT THE EDGES OF THE MAP
 CORRECTLY IN OTHER CASES.  IN SUCH CASES THE MAP SHOULD BE
 EXPANDED IN ONE OR MORE DIRECTIONS TO MAKE IT PERIODIC IN ALL
 DIRECTIONS.
BFONT COLOR=#FF!--SUMMARY_BEGIN--
html !-- CCP4 HTML LOGFILE --
hr
!--SUMMARY_END--/FONT/B

 Logical Name: MAPIN   Filename: H96LY10I01_14combfull.map

File name for input map file on unit   1 : H96LY10I01_14combfull.map
file size 1917228 ; logical name MAPIN



   Number of columns, rows, sections ...   43   43  259
   Map mode 2
   Start and stop points on columns, rows, sections 0   420
  420  258
   Grid sampling on x, y, z    48   48  304
   Cell dimensions .   42.7000
 42.7000   258.299890.90.90.
   Fast, medium, slow axes .YXZ
   Minimum density .-0.04944
   Maximum density . 0.19449
   Mean density -0.0
   Rms deviation from mean density . 0.01025
   Space-group .   91
   Number of titles 1


 Labels:
  [No title given]



 Translation modulus =   43   43  259
 *** ERROR - space group must be P1 if whole cell not given.



-- 
Scott Horowitz, Ph.D.
Research Associate
Howard Hughes Medical Institute

University of Michigan
Department of Molecular, Cellular, and Developmental Biology
Bardwell lab
830 N. University Ave, Room 4007
Ann Arbor, MI 48109
phone: 734-647-6683
fax: 734-615-4226