#CCP4I VERSION CCP4Interface 1.4.4.2
#CCP4I SCRIPT LOG map_correl
#CCP4I DATE 07 Dec 2006  10:49:59
#CCP4I USER phzwart
#CCP4I PROJECT betty
#CCP4I JOB_ID 20
#CCP4I SCRATCH /tmp/phzwart
#CCP4I HOSTNAME rosie.lbl.gov
#CCP4I PID 32532

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 ###############################################################
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 ### CCP4 6.0: FFTBIG             version 6.0       : 06/09/05##
 ###############################################################
 User: phzwart  Run date:  7/12/2006 Run time: 10:50:00 


 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>
 Data line--- title Map Correlation map 1
 Data line--- labin F1=FP SIG1=SIGFP PHI=PHIM W=FOMM
 Data line--- end

 OPENED INPUT MTZ FILE 
 Logical Name: HKLIN   Filename: /net/cci-filer1/vol1/home/phzwart/Tom/denmod_for_twin_data/test/master_out_15.mtz 

 * Title:

 Resolve mtz file.

 * Base dataset:

        0 HKL_base
          HKL_base
          HKL_base

 * Number of Datasets = 1

 * Dataset ID, project/crystal/dataset names, cell dimensions, wavelength:

        1 project
          crystal
          dataset
             55.0300   73.1600   92.4900   90.0000  102.4800   90.0000
             1.00000

 * Number of Columns = 13

 * Number of Reflections = 24975

 * Missing value set to NaN in input mtz file

 * HISTORY for current MTZ file :

 From resol,  6/12/06 22:51:31                                                   

 * Column Labels :

 H K L FP SIGFP PHIM FOMM HLAM HLBM HLCM HLDM FreeR_flag FC

 * Column Types :

 H H H F Q P W A A A A I F

 * Associated datasets :

 0 0 0 1 1 1 1 1 1 1 1 1 1

 * Cell Dimensions : (obsolete - refer to dataset cell dimensions above)

   55.0300   73.1600   92.4900   90.0000  102.4800   90.0000 

 *  Resolution Range :

    0.00012    0.15999     (     91.287 -      2.500 A )

 * Sort Order :

      0     0     0     0     0

 * Space group = 'P21' (number     4)

 Map cell is set to:   55.03   73.16   92.49   90.00  102.48   90.00

 Spacegroup information obtained from library file: 
 Logical Name: SYMINFO   Filename: /net/rosie/scratch1/phzwart/phenix//phenix-1.25b/ext_ref_files/solve/syminfo.lib

  FREE column NOT assigned


 Coefficients used for Fourier calculation:-
 *******************************************


 Fourier synthesis: W * ( k1 * F1) exp( i PHI)

    F1   =  FP  checked by SIG1 = SIGFP
    PHI  =  PHIM                          
    W    =  FOMM                          



 Resolution limits:     91.29     2.50
 Scale & B for F1 :    1.00000  0.00000

 *  F used = Scale * exp(- B * (sin theta/lambda)**2);  ** Scale and B applied to F BEFORE squaring for Patterson  **


 *** No reflections excluded ***




 Number of symmetry operations = 2 Space-group for FFT =   1  True space-group =   4 List terms gt     0

 Axis order in map: fast=Z,  medium= X,  slow(section)= Y


 ** The limits of the map have been set to those of
 the unit cell:

    Min X   Max X   Min Y   Max Y   Min Z   Max Z
    0.000   1.000   0.000   1.000   0.000   1.000

 (expressed in fractional coordinates and with x,y,z
  referring to the unpermutated axes.)


 Permutation of axes: (program=input)  x= X,  y= Y,  z= Z

 Before permutation :
           Maximum indices hkl ...................   22   29   37
           Sampling intervals on xyz .............   68   88  112
           Map limits in grid points on xyz ......    0   67       0   87       0  111

 Binary map will be written to stream   1

 Data is assumed to be unsorted
 After permutation :
           Maximum indices hkl ...................   22   29   37
           Sampling intervals on xyz .............   68   88  112
           Map limits in grid points on xyz ......    0   67       0   87       0  111






                              Fourier synthesis for space-group P1

  Buffer size =      682176



  ****  Largest F Value *** Reflection   0  2  0        7128.71

                                         Mean F          307.89

      49950 Structure factors used out of 24975 on the input file

 Logical Name: MAPOUT   Filename: /tmp/phzwart/betty_20_4_tmp_map.tmp 

File name for output map file on unit   1 : /tmp/phzwart/betty_20_4_tmp_map.tmp
logical name MAPOUT

 F000 =    0.000E+00          V =    3.636E+05

 Section axis is Y

 Binary output has Z running fastest, X next
  Section Y =   0 minimum rho =        -0.8563 at X =  26 Z =  31 maximum rho =         4.4281 at X =  17 Z =  57
  Section Y =   1 minimum rho =        -0.8989 at X =  14 Z =  22 maximum rho =         3.1840 at X =  17 Z =  57
  Section Y =   2 minimum rho =        -0.8983 at X =  36 Z =   0 maximum rho =         2.3749 at X =  38 Z =  71
  Section Y =   3 minimum rho =        -0.8541 at X =  18 Z = 105 maximum rho =         2.1280 at X =  24 Z =  39
  Section Y =   4 minimum rho =        -0.8660 at X =   8 Z =  37 maximum rho =         2.3570 at X =   3 Z =  33
  Section Y =   5 minimum rho =        -0.7605 at X =  24 Z =  58 maximum rho =         1.8198 at X =   2 Z =  60
  Section Y =   6 minimum rho =        -0.9022 at X =  59 Z =  51 maximum rho =         1.9634 at X =  24 Z =  74
  Section Y =   7 minimum rho =        -0.9828 at X =  31 Z =   9 maximum rho =         3.2822 at X =  66 Z =   6
  Section Y =   8 minimum rho =        -1.0722 at X =   0 Z =   5 maximum rho =         3.7282 at X =  66 Z =   6
  Section Y =   9 minimum rho =        -0.9969 at X =  66 Z =   9 maximum rho =         2.3898 at X =  67 Z =   7
  Section Y =  10 minimum rho =        -1.2752 at X =  65 Z =   8 maximum rho =         3.2210 at X =  37 Z =  53
  Section Y =  11 minimum rho =        -0.9035 at X =  35 Z =  55 maximum rho =         3.9732 at X =  37 Z =  53
  Section Y =  12 minimum rho =        -0.9679 at X =  27 Z =  59 maximum rho =         2.4230 at X =  37 Z =  53
  Section Y =  13 minimum rho =        -0.8746 at X =  38 Z =  51 maximum rho =         1.8183 at X =   8 Z =  53
  Section Y =  14 minimum rho =        -0.9604 at X =  37 Z =  47 maximum rho =         1.8521 at X =  23 Z =  74
  Section Y =  15 minimum rho =        -0.8840 at X =  63 Z =  31 maximum rho =         1.7065 at X =   6 Z =  34
  Section Y =  16 minimum rho =        -0.8092 at X =  41 Z =  76 maximum rho =         1.8107 at X =   4 Z =  30
  Section Y =  17 minimum rho =        -0.8569 at X =  25 Z =  56 maximum rho =         1.5078 at X =  39 Z =  68
  Section Y =  18 minimum rho =        -0.9396 at X =  32 Z =  79 maximum rho =         1.7498 at X =  24 Z =  71
  Section Y =  19 minimum rho =        -0.7266 at X =  18 Z = 100 maximum rho =         1.5280 at X =  50 Z =   3
  Section Y =  20 minimum rho =        -0.8838 at X =  22 Z =  57 maximum rho =         1.7918 at X =  23 Z =  60
  Section Y =  21 minimum rho =        -0.8193 at X =  44 Z =  72 maximum rho =         1.5870 at X =  35 Z =  73
  Section Y =  22 minimum rho =        -0.8790 at X =  16 Z =  72 maximum rho =         1.4908 at X =  63 Z =  16
  Section Y =  23 minimum rho =        -0.7957 at X =  36 Z =  72 maximum rho =         1.9558 at X =  11 Z =  65
  Section Y =  24 minimum rho =        -0.8073 at X =  16 Z =  69 maximum rho =         1.7423 at X =  11 Z =  65
  Section Y =  25 minimum rho =        -0.9562 at X =  54 Z = 106 maximum rho =         1.5206 at X =  15 Z =  71
  Section Y =  26 minimum rho =        -0.7556 at X =   7 Z =  55 maximum rho =         1.5452 at X =  49 Z =  49
  Section Y =  27 minimum rho =        -0.9676 at X =  14 Z =  78 maximum rho =         1.7319 at X =  20 Z =  87
  Section Y =  28 minimum rho =        -0.7805 at X =  42 Z =   2 maximum rho =         1.6222 at X =  42 Z =  10
  Section Y =  29 minimum rho =        -0.8102 at X =  41 Z =  37 maximum rho =         1.8923 at X =  41 Z =  40
  Section Y =  30 minimum rho =        -0.8610 at X =   7 Z =  86 maximum rho =         1.6974 at X =  47 Z = 104
  Section Y =  31 minimum rho =        -0.8926 at X =   0 Z =  15 maximum rho =         2.1988 at X =  47 Z = 104
  Section Y =  32 minimum rho =        -0.7942 at X =  44 Z =  30 maximum rho =         1.8089 at X =  32 Z =  43
  Section Y =  33 minimum rho =        -0.8985 at X =  44 Z = 109 maximum rho =         2.3166 at X =  53 Z =  85
  Section Y =  34 minimum rho =        -0.8417 at X =  65 Z =  67 maximum rho =         1.8094 at X =  46 Z =  91
  Section Y =  35 minimum rho =        -0.9299 at X =  47 Z =  33 maximum rho =         2.0187 at X =  55 Z =  72
  Section Y =  36 minimum rho =        -0.9392 at X =   6 Z =  66 maximum rho =         2.1364 at X =  45 Z =  65
  Section Y =  37 minimum rho =        -0.8720 at X =   0 Z =  49 maximum rho =         2.1418 at X =  62 Z =  23
  Section Y =  38 minimum rho =        -0.9125 at X =   2 Z =   9 maximum rho =         1.9483 at X =  58 Z =  83
  Section Y =  39 minimum rho =        -0.8369 at X =  35 Z =  84 maximum rho =         2.1392 at X =  49 Z = 109
  Section Y =  40 minimum rho =        -0.9409 at X =   5 Z =  13 maximum rho =         4.2227 at X =  50 Z = 109
  Section Y =  41 minimum rho =        -0.9186 at X =   9 Z =  87 maximum rho =         4.3305 at X =  50 Z = 109
  Section Y =  42 minimum rho =        -0.8883 at X =  47 Z = 109 maximum rho =         2.4432 at X =  50 Z = 109
  Section Y =  43 minimum rho =        -0.8751 at X =  62 Z =  90 maximum rho =         3.2494 at X =  51 Z =  55
  Section Y =  44 minimum rho =        -0.8563 at X =  42 Z =  81 maximum rho =         4.4281 at X =  51 Z =  55
  Section Y =  45 minimum rho =        -0.8989 at X =  54 Z =  90 maximum rho =         3.1840 at X =  51 Z =  55
  Section Y =  46 minimum rho =        -0.8983 at X =  32 Z =   0 maximum rho =         2.3749 at X =  30 Z =  41
  Section Y =  47 minimum rho =        -0.8541 at X =  50 Z =   7 maximum rho =         2.1280 at X =  44 Z =  73
  Section Y =  48 minimum rho =        -0.8660 at X =  60 Z =  75 maximum rho =         2.3570 at X =  65 Z =  79
  Section Y =  49 minimum rho =        -0.7605 at X =  44 Z =  54 maximum rho =         1.8198 at X =  66 Z =  52
  Section Y =  50 minimum rho =        -0.9022 at X =   9 Z =  61 maximum rho =         1.9634 at X =  44 Z =  38
  Section Y =  51 minimum rho =        -0.9828 at X =  37 Z = 103 maximum rho =         3.2822 at X =   2 Z = 106
  Section Y =  52 minimum rho =        -1.0722 at X =   0 Z = 107 maximum rho =         3.7282 at X =   2 Z = 106
  Section Y =  53 minimum rho =        -0.9969 at X =   2 Z = 103 maximum rho =         2.3898 at X =   1 Z = 105
  Section Y =  54 minimum rho =        -1.2752 at X =   3 Z = 104 maximum rho =         3.2210 at X =  31 Z =  59
  Section Y =  55 minimum rho =        -0.9034 at X =  33 Z =  57 maximum rho =         3.9732 at X =  31 Z =  59
  Section Y =  56 minimum rho =        -0.9679 at X =  41 Z =  53 maximum rho =         2.4230 at X =  31 Z =  59
  Section Y =  57 minimum rho =        -0.8746 at X =  30 Z =  61 maximum rho =         1.8183 at X =  60 Z =  59
  Section Y =  58 minimum rho =        -0.9604 at X =  31 Z =  65 maximum rho =         1.8521 at X =  45 Z =  38
  Section Y =  59 minimum rho =        -0.8840 at X =   5 Z =  81 maximum rho =         1.7065 at X =  62 Z =  78
  Section Y =  60 minimum rho =        -0.8092 at X =  27 Z =  36 maximum rho =         1.8107 at X =  64 Z =  82
  Section Y =  61 minimum rho =        -0.8569 at X =  43 Z =  56 maximum rho =         1.5078 at X =  29 Z =  44
  Section Y =  62 minimum rho =        -0.9396 at X =  36 Z =  33 maximum rho =         1.7498 at X =  44 Z =  41
  Section Y =  63 minimum rho =        -0.7266 at X =  50 Z =  12 maximum rho =         1.5280 at X =  18 Z = 109
  Section Y =  64 minimum rho =        -0.8838 at X =  46 Z =  55 maximum rho =         1.7918 at X =  45 Z =  52
  Section Y =  65 minimum rho =        -0.8193 at X =  24 Z =  40 maximum rho =         1.5870 at X =  33 Z =  39
  Section Y =  66 minimum rho =        -0.8790 at X =  52 Z =  40 maximum rho =         1.4908 at X =   5 Z =  96
  Section Y =  67 minimum rho =        -0.7957 at X =  32 Z =  40 maximum rho =         1.9558 at X =  57 Z =  47
  Section Y =  68 minimum rho =        -0.8073 at X =  52 Z =  43 maximum rho =         1.7423 at X =  57 Z =  47
  Section Y =  69 minimum rho =        -0.9562 at X =  14 Z =   6 maximum rho =         1.5206 at X =  53 Z =  41
  Section Y =  70 minimum rho =        -0.7556 at X =  61 Z =  57 maximum rho =         1.5452 at X =  19 Z =  63
  Section Y =  71 minimum rho =        -0.9676 at X =  54 Z =  34 maximum rho =         1.7319 at X =  48 Z =  25
  Section Y =  72 minimum rho =        -0.7805 at X =  26 Z = 110 maximum rho =         1.6222 at X =  26 Z = 102
  Section Y =  73 minimum rho =        -0.8102 at X =  27 Z =  75 maximum rho =         1.8923 at X =  27 Z =  72
  Section Y =  74 minimum rho =        -0.8610 at X =  61 Z =  26 maximum rho =         1.6974 at X =  21 Z =   8
  Section Y =  75 minimum rho =        -0.8926 at X =   0 Z =  97 maximum rho =         2.1988 at X =  21 Z =   8
  Section Y =  76 minimum rho =        -0.7942 at X =  24 Z =  82 maximum rho =         1.8089 at X =  36 Z =  69
  Section Y =  77 minimum rho =        -0.8985 at X =  24 Z =   3 maximum rho =         2.3166 at X =  15 Z =  27
  Section Y =  78 minimum rho =        -0.8417 at X =   3 Z =  45 maximum rho =         1.8094 at X =  22 Z =  21
  Section Y =  79 minimum rho =        -0.9299 at X =  21 Z =  79 maximum rho =         2.0187 at X =  13 Z =  40
  Section Y =  80 minimum rho =        -0.9392 at X =  62 Z =  46 maximum rho =         2.1364 at X =  23 Z =  47
  Section Y =  81 minimum rho =        -0.8720 at X =   0 Z =  63 maximum rho =         2.1418 at X =   6 Z =  89
  Section Y =  82 minimum rho =        -0.9125 at X =  66 Z = 103 maximum rho =         1.9483 at X =  10 Z =  29
  Section Y =  83 minimum rho =        -0.8369 at X =  33 Z =  28 maximum rho =         2.1392 at X =  19 Z =   3
  Section Y =  84 minimum rho =        -0.9409 at X =  63 Z =  99 maximum rho =         4.2227 at X =  18 Z =   3
  Section Y =  85 minimum rho =        -0.9186 at X =  59 Z =  25 maximum rho =         4.3305 at X =  18 Z =   3
  Section Y =  86 minimum rho =        -0.8883 at X =  21 Z =   3 maximum rho =         2.4432 at X =  18 Z =   3
  Section Y =  87 minimum rho =        -0.8751 at X =   6 Z =  22 maximum rho =         3.2494 at X =  17 Z =  57


 Overall maximum rho =          4.4281 on section Y =  44 at X =  51 Z =  55


 Overall minimum rho =         -1.2752 on section Y =  10 at X =  65 Z =   8

  Average density on this map is          0.00000003

 Logical Name: MAPOUT   Filename: /tmp/phzwart/betty_20_4_tmp_map.tmp 

File name for input map file on unit   1 : /tmp/phzwart/betty_20_4_tmp_map.tmp
file size 2682016 ; logical name MAPOUT



           Number of columns, rows, sections ...............  112   68   88
           Map mode ........................................    2
           Start and stop points on columns, rows, sections     0  111    0   67    0   87
           Grid sampling on x, y, z ........................   68   88  112
           Cell dimensions .................................  55.03000  73.16000  92.49000  90.00000 102.48000  90.00000
           Fast, medium, slow axes .........................    Z    X    Y
           Minimum density .................................    -1.27522
           Maximum density .................................     4.42812
           Mean density ....................................     0.00000
           Rms deviation from mean density .................     0.33506
           Space-group .....................................    4
           Number of titles ................................    1


     Labels:                            
  Map Correlation map 1


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 FFTBIG:  Normal termination
Times: User:       0.2s System:    0.0s Elapsed:     0:00  
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 ###############################################################
 ###############################################################
 ###############################################################
 ### CCP4 6.0: SFALL              version 6.0       : 23/10/06##
 ###############################################################
 User: phzwart  Run date:  7/12/2006 Run time: 10:50:00 


 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>

 Memory allocation (logical name, type, elements):
   MEMSIZE R      5000000
   MEMSIZE I      5000000

FORMATTED      OLD     file opened on unit  45
<B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN-->
Logical name: ATOMSF, Filename: /net/rosie/scratch1/phzwart/ccp4/ccp4-6.0.2/lib/data/atomsf.lib
<!--SUMMARY_END--></FONT></B>

 Data line--- title [No title given]
 Data line--- MODE ATMMAP
 Data line--- grid 68 88 112
 Data line--- symmetry P21

 Spacegroup information obtained from library file: 
 Logical Name: SYMINFO   Filename: /net/rosie/scratch1/phzwart/phenix//phenix-1.25b/ext_ref_files/solve/syminfo.lib

Reciprocal space symmetry: 
Space group: "P 1 21 1" Point group: "PG2" Laue group: "2/m" 
Reference asymmetric unit: "k>=0 and (l>0 or (l=0 and h>=0))" 
  (change of basis may be applied) 

 Spacegroup 4 "P 1 21 1" 
 Original indices for reflection hkl with symmetry number ISYM 

                              Bijvoet positive 
       ISYM              ISYM              ISYM              ISYM              
  ISYM   1  +h,+k,+l       3  -h,+k,-l    

                              Bijvoet negative 
       ISYM              ISYM              ISYM              ISYM              
  ISYM   2  -h,-k,-l       4  +h,-k,+l    
 Data line--- badd 0.0
 Data line--- vdwr 2.5
 Data line--- end
 ***  Calculation symmetry using space-group CalcSpaceGroup    4 ***

  Logical name: XYZIN  File name: /net/cci-filer1/vol1/home/phzwart/Tom/denmod_for_twin_data/test/cut.pdb
  PDB file is being opened on unit 1 for INPUT.

  MATRICES DERIVED FROM CRYST1 CARD IN COORDINATE FILE


             RF                                  RO

    0.018  -0.000   0.004   0.000       55.030   0.000 -19.987  -0.000
   -0.000   0.014  -0.000  -0.000        0.000  73.160   0.000   0.000
    0.000  -0.000   0.011  -0.000        0.000   0.000  90.305  -0.000
   -0.000   0.000  -0.000   1.000       -0.000   0.000  -0.000   1.000




 Form factors used are   
 AtomName - formfac number -  (AI BI),I=1,NGauss - sum(AI)
  Default value is 5 term gaussian
  H       1     0.49300  10.51090     0.32291  26.12570
                0.14019   3.14236     0.04081  57.79970     0.00304   0.00000     0.99995
  C       2     2.31000  20.84390     1.02000  10.20750
                1.58860   0.56870     0.86500  51.65120     0.21560   0.00000     5.99920
  N       3    12.21260   0.00570     3.13220   9.89330
                2.01250  28.99750     1.16630   0.58260   -11.52900   0.00000     6.99460
  O       4     3.04850  13.27710     2.28680   5.70110
                1.54630   0.32390     0.86700  32.90890     0.25080   0.00000     7.99940
  S       5     6.90530   1.46790     5.20340  22.21510
                1.43790   0.25360     1.58630  56.17200     0.86690   0.00000    15.99980

 Title: [No title given]

  Program outputs an Electron density map   
  Generated from Atomic Co-ordinates  -


 Chain Names - First Residue - Last Residue - serial Kcount

    INPUT X USED AS  X
    INPUT Y USED AS  Z
    INPUT Z USED AS  Y
  Title 
    [No title given]

 Unit CELL Parameters are =    55.0300   73.1600   92.4900   90.0000  102.4800   90.0000
 Space Group Number       =     4

 Sampling Intervals NX,NY,NZ are    68   88  112


 Map dimensions are  X =     0 to    67 Y =     0 to    43 Z =     0 to   111


 BADD =   0.00


 Initial Value of Atom radius in "fc" MAP       2.50
 This is modified by a factor Sqrt(B+25)/2PI to "spread"  the density for atoms with high B factors

 Breset is -1.00

 Logical Name: MAPOUT   Filename: /tmp/phzwart/betty_20_7_map.tmp 

File name for output map file on unit   1 : /tmp/phzwart/betty_20_7_map.tmp
logical name MAPOUT


 Limits for atoms:     AXIS    MIN      MAX
                         1    0.000    1.000
                         2    0.000    1.000
                         3   -0.034    0.523
 
 

 Upper limits are:     AXIS    MIN      MAX
                         1    0.045    0.955
                         2    0.034    0.466
                         3    0.027    0.454
 
 


  First 10 atoms of atsort - orthog coordinates
         3C    SER         1 13.8130 10.1750 74.8630 1.00   32.11    2
   fractional coordinates  0.55210 0.13908 0.82901


  First 10 atoms of atsort - orthog coordinates
         4O    SER         1 13.9860  9.2760 75.6860 1.00   30.15    4
   fractional coordinates  0.55856 0.12679 0.83812
         7N    THR         2 13.2890  9.7660 73.6840 1.00   23.25    3
   fractional coordinates  0.53784 0.13349 0.81595
         8CA   THR         2 13.8790  8.5740 73.0480 1.00   21.86    2
   fractional coordinates  0.54600 0.11720 0.80891
         9C    THR         2 15.0940  8.8060 72.1780 1.00   17.79    2
   fractional coordinates  0.56458 0.12037 0.79927
        10O    THR         2 15.7160  7.8200 71.7390 1.00   15.97    4
   fractional coordinates  0.57412 0.10689 0.79441
        11CB   THR         2 12.7880  7.9520 72.1590 1.00   19.24    2
   fractional coordinates  0.52260 0.10869 0.79906
        12OG1  THR         2 12.2760  8.9750 71.3030 1.00   21.29    4
   fractional coordinates  0.50986 0.12268 0.78958
        13CG2  THR         2 11.6510  7.4700 73.0670 1.00   20.97    2
   fractional coordinates  0.50559 0.10210 0.80912
        14N    ALA         3 15.4230 10.0480 71.8660 1.00   19.33    3
   fractional coordinates  0.56931 0.13734 0.79582
        15CA   ALA         3 16.5650 10.3160 71.0110 1.00   16.60    2
   fractional coordinates  0.58662 0.14101 0.78635
  First 10 atoms of sorted file in asym unit -  
       10.50559   0.80912   0.10210    920.97 1.00         2    2CG2  THR 
       10.57412   0.79441   0.10689    615.97 1.00         4    2O    THR 
       10.52260   0.79906   0.10869    719.24 1.00         2    2CB   THR 
       10.54600   0.80891   0.11720    421.86 1.00         2    2CA   THR 
       10.56458   0.79927   0.12037    517.79 1.00         2    2C    THR 
       10.50986   0.78958   0.12268    821.29 1.00         4    2OG1  THR 
       10.55856   0.83812   0.12679    230.15 1.00         4    1O    SER 
       10.53784   0.81595   0.13349    323.25 1.00         3    2N    THR 
       10.56931   0.79582   0.13734   1019.33 1.00         3    3N    ALA 
       10.55210   0.82901   0.13908    132.11 1.00         2    1C    SER 

  First atom of sorted file in atsort 
       10.44060  10.98804  -0.03416 571810.94     51.00  368CA   ARG 
 Number of atoms input            =          5772
 Number of atoms in sort          =        6593
 Number in density generation     =   6593
 Number completely within fft box =   4951
     Minimum B =     3.16
     Maximum B =    69.68
     Average B =    14.38
     Number of Bs < BfactReset =        0
     Number of Bs > 99.99  =        0
 SECTION =  1   MIN AND MAX  DENSITY ARE   0.0000E+00  0.9528E+01
 SECTION =  2   MIN AND MAX  DENSITY ARE   0.0000E+00  0.6150E+01
 SECTION =  3   MIN AND MAX  DENSITY ARE   0.0000E+00  0.7794E+01
 SECTION =  4   MIN AND MAX  DENSITY ARE   0.0000E+00  0.5320E+01
 SECTION =  5   MIN AND MAX  DENSITY ARE   0.0000E+00  0.5438E+01
 SECTION =  6   MIN AND MAX  DENSITY ARE   0.0000E+00  0.5172E+01
 SECTION =  7   MIN AND MAX  DENSITY ARE   0.0000E+00  0.7386E+01
 SECTION =  8   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1119E+02
 SECTION =  9   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1026E+02
 SECTION = 10   MIN AND MAX  DENSITY ARE   0.0000E+00  0.8868E+01
 SECTION = 11   MIN AND MAX  DENSITY ARE   0.0000E+00  0.9476E+01
 SECTION = 12   MIN AND MAX  DENSITY ARE   0.0000E+00  0.5545E+01
 SECTION = 13   MIN AND MAX  DENSITY ARE   0.0000E+00  0.8756E+01
 SECTION = 14   MIN AND MAX  DENSITY ARE   0.0000E+00  0.7999E+01
 SECTION = 15   MIN AND MAX  DENSITY ARE   0.0000E+00  0.5141E+01
 SECTION = 16   MIN AND MAX  DENSITY ARE   0.0000E+00  0.5340E+01
 SECTION = 17   MIN AND MAX  DENSITY ARE   0.0000E+00  0.5263E+01
 SECTION = 18   MIN AND MAX  DENSITY ARE   0.0000E+00  0.4117E+01
 SECTION = 19   MIN AND MAX  DENSITY ARE   0.0000E+00  0.4066E+01
 SECTION = 20   MIN AND MAX  DENSITY ARE   0.0000E+00  0.3954E+01
 SECTION = 21   MIN AND MAX  DENSITY ARE   0.0000E+00  0.4069E+01
 SECTION = 22   MIN AND MAX  DENSITY ARE   0.0000E+00  0.4679E+01
 SECTION = 23   MIN AND MAX  DENSITY ARE   0.0000E+00  0.4086E+01
 SECTION = 24   MIN AND MAX  DENSITY ARE   0.0000E+00  0.5329E+01
 SECTION = 25   MIN AND MAX  DENSITY ARE   0.0000E+00  0.3224E+01
 SECTION = 26   MIN AND MAX  DENSITY ARE   0.0000E+00  0.3627E+01
 SECTION = 27   MIN AND MAX  DENSITY ARE   0.0000E+00  0.3843E+01
 SECTION = 28   MIN AND MAX  DENSITY ARE   0.0000E+00  0.4313E+01
 SECTION = 29   MIN AND MAX  DENSITY ARE   0.0000E+00  0.3589E+01
 SECTION = 30   MIN AND MAX  DENSITY ARE   0.0000E+00  0.4060E+01
 SECTION = 31   MIN AND MAX  DENSITY ARE   0.0000E+00  0.3863E+01
 SECTION = 32   MIN AND MAX  DENSITY ARE   0.0000E+00  0.5103E+01
 SECTION = 33   MIN AND MAX  DENSITY ARE   0.0000E+00  0.6552E+01
 SECTION = 34   MIN AND MAX  DENSITY ARE   0.0000E+00  0.7883E+01
 SECTION = 35   MIN AND MAX  DENSITY ARE   0.0000E+00  0.4458E+01
 SECTION = 36   MIN AND MAX  DENSITY ARE   0.0000E+00  0.7217E+01
 SECTION = 37   MIN AND MAX  DENSITY ARE   0.0000E+00  0.5367E+01
 SECTION = 38   MIN AND MAX  DENSITY ARE   0.0000E+00  0.4588E+01
 SECTION = 39   MIN AND MAX  DENSITY ARE   0.0000E+00  0.4859E+01
 SECTION = 40   MIN AND MAX  DENSITY ARE   0.0000E+00  0.8818E+01
 SECTION = 41   MIN AND MAX  DENSITY ARE   0.0000E+00  0.5706E+01
 SECTION = 42   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1214E+02
 SECTION = 43   MIN AND MAX  DENSITY ARE   0.0000E+00  0.8665E+01
 SECTION = 44   MIN AND MAX  DENSITY ARE   0.0000E+00  0.7610E+01
 SUM OF DENSITY UP TO  THIS BLOCK IS     0.6760E+05

 Logical Name: MAPOUT   Filename: /tmp/phzwart/betty_20_7_map.tmp 

File name for input map file on unit   1 : /tmp/phzwart/betty_20_7_map.tmp
file size 1341600 ; logical name MAPOUT



           Number of columns, rows, sections ...............  112   68   44
           Map mode ........................................    2
           Start and stop points on columns, rows, sections     0  111    0   67    0   43
           Grid sampling on x, y, z ........................   68   88  112
           Cell dimensions .................................  55.03000  73.16000  92.49000  90.00000 102.48000  90.00000
           Fast, medium, slow axes .........................    Z    X    Y
           Minimum density .................................     0.00000
           Maximum density .................................    12.14377
           Mean density ....................................     0.20173
           Rms deviation from mean density .................     0.46919
           Space-group .....................................    4
           Number of titles ................................    1


     Labels:                            
  [No title given]


<B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN-->
 SFALL:   Normal Termination of fc map output
Times: User:       0.2s System:    0.1s Elapsed:     0:00  
</pre>
</html>
<!--SUMMARY_END--></FONT></B>
<B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN-->
<html> <!-- CCP4 HTML LOGFILE -->
<hr>
<!--SUMMARY_END--></FONT></B>
<B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN-->
<pre>
 
 ###############################################################
 ###############################################################
 ###############################################################
 ### CCP4 6.0: mapmask            version 6.0       : 06/09/05##
 ###############################################################
 User: phzwart  Run date:  7/12/2006 Run time: 10:50:00 


 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>
 Data line--- XYZLIM 0 67 0 87 0 111
 Data line--- AXIS Z X Y
 Comment line--- ## This script run with the command   ##########
 Comment line--- # mapmask MAPIN "/tmp/phzwart/betty_20_7_map.tmp" MAPOUT "/tmp/phzwart/betty_20_8_map.tmp"
 Comment line--- ################################################

 Logical Name: MAPIN   Filename: /tmp/phzwart/betty_20_7_map.tmp 

File name for input map file on unit   1 : /tmp/phzwart/betty_20_7_map.tmp
file size 1341600 ; logical name MAPIN



           Number of columns, rows, sections ...............  112   68   44
           Map mode ........................................    2
           Start and stop points on columns, rows, sections     0  111    0   67    0   43
           Grid sampling on x, y, z ........................   68   88  112
           Cell dimensions .................................  55.03000  73.16000  92.49000  90.00000 102.48000  90.00000
           Fast, medium, slow axes .........................    Z    X    Y
           Minimum density .................................     0.00000
           Maximum density .................................    12.14377
           Mean density ....................................     0.20173
           Rms deviation from mean density .................     0.46919
           Space-group .....................................    4
           Number of titles ................................    1


     Labels:                            
  [No title given]


 Unit cell volume:  363565.8
 Orthogonalisation matrices:
   55.030   0.000 -19.987           0.018   0.000   0.004
    0.000  73.160   0.000           0.000   0.014   0.000
    0.000   0.000  90.305           0.000   0.000   0.011
 Real space metric tensor:      
    3028.3   5352.4   8554.4      0.0  -2199.8      0.0
 Reciprocal space metric tensor:
  0.000346 0.000187 0.000123 0.000000 0.000089 0.000000

 Spacegroup information obtained from library file: 
 Logical Name: SYMINFO   Filename: /net/rosie/scratch1/phzwart/phenix//phenix-1.25b/ext_ref_files/solve/syminfo.lib


 INPUT  MASK EXTENT
         0 :   67         0 :   43         0 :  111
 OUTPUT MASK EXTENT
         0 :   67         0 :   87         0 :  111


 MAP/MASK READ SUCCESSFUL



 EXTEND XTAL  mode
 Spacegroup symmetry and cell repeat will be used to expand
 the map.



 Logical Name: MAPOUT   Filename: /tmp/phzwart/betty_20_8_map.tmp 

File name for output map file on unit   1 : /tmp/phzwart/betty_20_8_map.tmp
logical name MAPOUT

    Cell ..........  55.03000  73.16000  92.49000  90.00000 102.48000  90.00000
    Space group ...  4
    Number of columns, rows, sections ........  112   68   88
    Start and stop points on cols, rows, secs.    0: 111    0:  67    0:  87
    Fast, medium, slow axes ..................    Z    X    Y
    Grid sampling on x, y, z .................   68   88  112
    Start and stop points on x, y, z .........    0:  67    0:  87    0: 111

<B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN-->
 mapmask:   (mapmask) - normal termination 
Times: User:       0.1s System:    0.0s Elapsed:     0:00  
</pre>
</html>
<!--SUMMARY_END--></FONT></B>
<B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN-->
<html> <!-- CCP4 HTML LOGFILE -->
<hr>
<!--SUMMARY_END--></FONT></B>
<B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN-->
<pre>
 
 ###############################################################
 ###############################################################
 ###############################################################
 ### CCP4 6.0: SFALL              version 6.0       : 23/10/06##
 ###############################################################
 User: phzwart  Run date:  7/12/2006 Run time: 10:50:00 


 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>

 Memory allocation (logical name, type, elements):
   MEMSIZE R      5000000
   MEMSIZE I      5000000

FORMATTED      OLD     file opened on unit  45
<B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN-->
Logical name: ATOMSF, Filename: /net/rosie/scratch1/phzwart/ccp4/ccp4-6.0.2/lib/data/atomsf.lib
<!--SUMMARY_END--></FONT></B>

 Data line--- title [No title given]
 Data line--- MODE ATMMAP     RESMOD
 Data line--- grid 68 88 112
 Data line--- symmetry P21

 Spacegroup information obtained from library file: 
 Logical Name: SYMINFO   Filename: /net/rosie/scratch1/phzwart/phenix//phenix-1.25b/ext_ref_files/solve/syminfo.lib

Reciprocal space symmetry: 
Space group: "P 1 21 1" Point group: "PG2" Laue group: "2/m" 
Reference asymmetric unit: "k>=0 and (l>0 or (l=0 and h>=0))" 
  (change of basis may be applied) 

 Spacegroup 4 "P 1 21 1" 
 Original indices for reflection hkl with symmetry number ISYM 

                              Bijvoet positive 
       ISYM              ISYM              ISYM              ISYM              
  ISYM   1  +h,+k,+l       3  -h,+k,-l    

                              Bijvoet negative 
       ISYM              ISYM              ISYM              ISYM              
  ISYM   2  -h,-k,-l       4  +h,-k,+l    
 Data line--- chain A 1 373
 Data line--- chain B 1 373
 Data line--- badd 0.0
 Data line--- vdwr 2.5
 Data line--- end
  resolution limits cannot be got from map/brk files
  Using current Smin/Smax of   0.0500000007  1.
 ***  Calculation symmetry using space-group CalcSpaceGroup    4 ***

  Logical name: XYZIN  File name: /net/cci-filer1/vol1/home/phzwart/Tom/denmod_for_twin_data/test/cut.pdb
  PDB file is being opened on unit 1 for INPUT.

  MATRICES DERIVED FROM CRYST1 CARD IN COORDINATE FILE


             RF                                  RO

    0.018  -0.000   0.004   0.000       55.030   0.000 -19.987  -0.000
   -0.000   0.014  -0.000  -0.000        0.000  73.160   0.000   0.000
    0.000  -0.000   0.011  -0.000        0.000   0.000  90.305  -0.000
   -0.000   0.000  -0.000   1.000       -0.000   0.000  -0.000   1.000




 Form factors used are   
 AtomName - formfac number -  (AI BI),I=1,NGauss - sum(AI)
  Default value is 5 term gaussian
  H       1     0.49300  10.51090     0.32291  26.12570
                0.14019   3.14236     0.04081  57.79970     0.00304   0.00000     0.99995
  C       2     2.31000  20.84390     1.02000  10.20750
                1.58860   0.56870     0.86500  51.65120     0.21560   0.00000     5.99920
  N       3    12.21260   0.00570     3.13220   9.89330
                2.01250  28.99750     1.16630   0.58260   -11.52900   0.00000     6.99460
  O       4     3.04850  13.27710     2.28680   5.70110
                1.54630   0.32390     0.86700  32.90890     0.25080   0.00000     7.99940
  S       5     6.90530   1.46790     5.20340  22.21510
                1.43790   0.25360     1.58630  56.17200     0.86690   0.00000    15.99980

 Title: [No title given]

  Program outputs an Electron density map   
  Generated from Atomic Co-ordinates  -
  Electron density map Generated   from Atomic CORDINATES with 100*ires+1000000*mchflg
  *** only useful for correlation by residue no.**


 Chain Names - First Residue - Last Residue - serial Kcount
        A            1          373             0
        B            1          373           373

    INPUT X USED AS  X
    INPUT Y USED AS  Z
    INPUT Z USED AS  Y
  Title 
    [No title given]

 Unit CELL Parameters are =    55.0300   73.1600   92.4900   90.0000  102.4800   90.0000
 Space Group Number       =     4

 Sampling Intervals NX,NY,NZ are    68   88  112


 Map dimensions are  X =     0 to    67 Y =     0 to    43 Z =     0 to   111


 BADD =   0.00


 Initial Value of Atom radius in "fc" MAP       2.50
 This is modified by a factor Sqrt(B+25)/2PI to "spread"  the density for atoms with high B factors

 Breset is -1.00

 Logical Name: MAPOUT   Filename: /tmp/phzwart/betty_20_11_map.tmp 

File name for output map file on unit   1 : /tmp/phzwart/betty_20_11_map.tmp
logical name MAPOUT


 Limits for atoms:     AXIS    MIN      MAX
                         1    0.000    1.000
                         2    0.000    1.000
                         3   -0.034    0.523
 
 

 Upper limits are:     AXIS    MIN      MAX
                         1    0.045    0.955
                         2    0.034    0.466
                         3    0.027    0.454
 
 


  First 10 atoms of atsort - orthog coordinates
         3C    SER         1 13.8130 10.1750 74.8630 1.00   32.11    2
   fractional coordinates  0.55210 0.13908 0.82901


  First 10 atoms of atsort - orthog coordinates
         4O    SER         1 13.9860  9.2760 75.6860 1.00   30.15    4
   fractional coordinates  0.55856 0.12679 0.83812
         7N    THR         2 13.2890  9.7660 73.6840 1.00   23.25    3
   fractional coordinates  0.53784 0.13349 0.81595
         8CA   THR         2 13.8790  8.5740 73.0480 1.00   21.86    2
   fractional coordinates  0.54600 0.11720 0.80891
         9C    THR         2 15.0940  8.8060 72.1780 1.00   17.79    2
   fractional coordinates  0.56458 0.12037 0.79927
        10O    THR         2 15.7160  7.8200 71.7390 1.00   15.97    4
   fractional coordinates  0.57412 0.10689 0.79441
        11CB   THR         2 12.7880  7.9520 72.1590 1.00   19.24    2
   fractional coordinates  0.52260 0.10869 0.79906
        12OG1  THR         2 12.2760  8.9750 71.3030 1.00   21.29    4
   fractional coordinates  0.50986 0.12268 0.78958
        13CG2  THR         2 11.6510  7.4700 73.0670 1.00   20.97    2
   fractional coordinates  0.50559 0.10210 0.80912
        14N    ALA         3 15.4230 10.0480 71.8660 1.00   19.33    3
   fractional coordinates  0.56931 0.13734 0.79582
        15CA   ALA         3 16.5650 10.3160 71.0110 1.00   16.60    2
   fractional coordinates  0.58662 0.14101 0.78635
  First 10 atoms of sorted file in asym unit -  
       10.50559   0.80912   0.10210    920.97 1.00         2    2CG2  THR 
       10.57412   0.79441   0.10689    615.97 1.00         4    2O    THR 
       10.52260   0.79906   0.10869    719.24 1.00         2    2CB   THR 
       10.54600   0.80891   0.11720    421.86 1.00         2    2CA   THR 
       10.56458   0.79927   0.12037    517.79 1.00         2    2C    THR 
       10.50986   0.78958   0.12268    821.29 1.00         4    2OG1  THR 
       10.55856   0.83812   0.12679    230.15 1.00         4    1O    SER 
       10.53784   0.81595   0.13349    323.25 1.00         3    2N    THR 
       10.56931   0.79582   0.13734   1019.33 1.00         3    3N    ALA 
       10.55210   0.82901   0.13908    132.11 1.00         2    1C    SER 

  First atom of sorted file in atsort 
       10.44060  10.98804  -0.03416 571810.94     51.00  741CA   ARG 
 Number of atoms input            =          5772
 Number of atoms in sort          =        6593
 Number in density generation     =   6593
 Number completely within fft box =   4951
     Minimum B =     3.16
     Maximum B =    69.68
     Average B =    14.38
     Number of Bs < BfactReset =        0
     Number of Bs > 99.99  =        0
 SECTION =  1   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1075E+07
 SECTION =  2   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1074E+07
 SECTION =  3   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1072E+07
 SECTION =  4   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1072E+07
 SECTION =  5   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1072E+07
 SECTION =  6   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1072E+07
 SECTION =  7   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1072E+07
 SECTION =  8   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1072E+07
 SECTION =  9   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1072E+07
 SECTION = 10   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1072E+07
 SECTION = 11   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1072E+07
 SECTION = 12   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1072E+07
 SECTION = 13   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1071E+07
 SECTION = 14   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1071E+07
 SECTION = 15   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1071E+07
 SECTION = 16   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1071E+07
 SECTION = 17   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1071E+07
 SECTION = 18   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1071E+07
 SECTION = 19   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1071E+07
 SECTION = 20   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1071E+07
 SECTION = 21   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1071E+07
 SECTION = 22   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1071E+07
 SECTION = 23   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1071E+07
 SECTION = 24   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1071E+07
 SECTION = 25   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1074E+07
 SECTION = 26   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1074E+07
 SECTION = 27   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1074E+07
 SECTION = 28   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1074E+07
 SECTION = 29   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1074E+07
 SECTION = 30   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1074E+07
 SECTION = 31   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1074E+07
 SECTION = 32   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1074E+07
 SECTION = 33   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1074E+07
 SECTION = 34   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1074E+07
 SECTION = 35   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1074E+07
 SECTION = 36   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1074E+07
 SECTION = 37   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1074E+07
 SECTION = 38   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1074E+07
 SECTION = 39   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1074E+07
 SECTION = 40   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1075E+07
 SECTION = 41   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1075E+07
 SECTION = 42   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1075E+07
 SECTION = 43   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1075E+07
 SECTION = 44   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1075E+07
 SUM OF DENSITY UP TO  THIS BLOCK IS     0.8400E+11

 Logical Name: MAPOUT   Filename: /tmp/phzwart/betty_20_11_map.tmp 

File name for input map file on unit   1 : /tmp/phzwart/betty_20_11_map.tmp
file size 1341600 ; logical name MAPOUT



           Number of columns, rows, sections ...............  112   68   44
           Map mode ........................................    2
           Start and stop points on columns, rows, sections     0  111    0   67    0   43
           Grid sampling on x, y, z ........................   68   88  112
           Cell dimensions .................................  55.03000  73.16000  92.49000  90.00000 102.48000  90.00000
           Fast, medium, slow axes .........................    Z    X    Y
           Minimum density .................................     0.00000
           Maximum density .................................1074602.12500
           Mean density ....................................250747.04688
           Rms deviation from mean density .................426485.15625
           Space-group .....................................    4
           Number of titles ................................    1


     Labels:                            
  [No title given]


<B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN-->
 SFALL:   Normal Termination of fc map output
Times: User:       0.2s System:    0.1s Elapsed:     0:01  
</pre>
</html>
<!--SUMMARY_END--></FONT></B>
<B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN-->
<html> <!-- CCP4 HTML LOGFILE -->
<hr>
<!--SUMMARY_END--></FONT></B>
<B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN-->
<pre>
 
 ###############################################################
 ###############################################################
 ###############################################################
 ### CCP4 6.0: mapmask            version 6.0       : 06/09/05##
 ###############################################################
 User: phzwart  Run date:  7/12/2006 Run time: 10:50:01 


 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>
 Data line--- XYZLIM 0 67 0 87 0 111
 Data line--- AXIS Z X Y
 Comment line--- ## This script run with the command   ##########
 Comment line--- # mapmask MAPIN "/tmp/phzwart/betty_20_11_map.tmp" MAPOUT "/tmp/phzwart/betty_20_15_map.tmp"
 Comment line--- ################################################

 Logical Name: MAPIN   Filename: /tmp/phzwart/betty_20_11_map.tmp 

File name for input map file on unit   1 : /tmp/phzwart/betty_20_11_map.tmp
file size 1341600 ; logical name MAPIN



           Number of columns, rows, sections ...............  112   68   44
           Map mode ........................................    2
           Start and stop points on columns, rows, sections     0  111    0   67    0   43
           Grid sampling on x, y, z ........................   68   88  112
           Cell dimensions .................................  55.03000  73.16000  92.49000  90.00000 102.48000  90.00000
           Fast, medium, slow axes .........................    Z    X    Y
           Minimum density .................................     0.00000
           Maximum density .................................1074602.12500
           Mean density ....................................250747.04688
           Rms deviation from mean density .................426485.15625
           Space-group .....................................    4
           Number of titles ................................    1


     Labels:                            
  [No title given]


 Unit cell volume:  363565.8
 Orthogonalisation matrices:
   55.030   0.000 -19.987           0.018   0.000   0.004
    0.000  73.160   0.000           0.000   0.014   0.000
    0.000   0.000  90.305           0.000   0.000   0.011
 Real space metric tensor:      
    3028.3   5352.4   8554.4      0.0  -2199.8      0.0
 Reciprocal space metric tensor:
  0.000346 0.000187 0.000123 0.000000 0.000089 0.000000

 Spacegroup information obtained from library file: 
 Logical Name: SYMINFO   Filename: /net/rosie/scratch1/phzwart/phenix//phenix-1.25b/ext_ref_files/solve/syminfo.lib


 INPUT  MASK EXTENT
         0 :   67         0 :   43         0 :  111
 OUTPUT MASK EXTENT
         0 :   67         0 :   87         0 :  111


 MAP/MASK READ SUCCESSFUL



 EXTEND XTAL  mode
 Spacegroup symmetry and cell repeat will be used to expand
 the map.



 Logical Name: MAPOUT   Filename: /tmp/phzwart/betty_20_15_map.tmp 

File name for output map file on unit   1 : /tmp/phzwart/betty_20_15_map.tmp
logical name MAPOUT

    Cell ..........  55.03000  73.16000  92.49000  90.00000 102.48000  90.00000
    Space group ...  4
    Number of columns, rows, sections ........  112   68   88
    Start and stop points on cols, rows, secs.    0: 111    0:  67    0:  87
    Fast, medium, slow axes ..................    Z    X    Y
    Grid sampling on x, y, z .................   68   88  112
    Start and stop points on x, y, z .........    0:  67    0:  87    0: 111

<B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN-->
 mapmask:   (mapmask) - normal termination 
Times: User:       0.1s System:    0.0s Elapsed:     0:00  
</pre>
</html>
<!--SUMMARY_END--></FONT></B>
<B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN-->
<html> <!-- CCP4 HTML LOGFILE -->
<hr>
<!--SUMMARY_END--></FONT></B>
<B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN-->
<pre>
 
 ###############################################################
 ###############################################################
 ###############################################################
 ### CCP4 6.0: OVERLAPMAP         version 6.0       : 06/09/05##
 ###############################################################
 User: phzwart  Run date:  7/12/2006 Run time: 10:50:01 


 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>

 Logical Name: MAPIN1   Filename: /tmp/phzwart/betty_20_1_map.map.tmp 

File name for input map file on unit   3 : /tmp/phzwart/betty_20_1_map.map.tmp
file size 2682016 ; logical name MAPIN1



           Number of columns, rows, sections ...............  112   68   88
           Map mode ........................................    2
           Start and stop points on columns, rows, sections     0  111    0   67    0   87
           Grid sampling on x, y, z ........................   68   88  112
           Cell dimensions .................................  55.03000  73.16000  92.49000  90.00000 102.48000  90.00000
           Fast, medium, slow axes .........................    Z    X    Y
           Minimum density .................................    -1.27522
           Maximum density .................................     4.42812
           Mean density ....................................     0.00000
           Rms deviation from mean density .................     0.33506
           Space-group .....................................    4
           Number of titles ................................    1


     Labels:                            
  Map Correlation map 1



 Logical Name: MAPIN2   Filename: /tmp/phzwart/betty_20_8_map.tmp 

File name for input map file on unit   4 : /tmp/phzwart/betty_20_8_map.tmp
file size 2682016 ; logical name MAPIN2



           Number of columns, rows, sections ...............  112   68   88
           Map mode ........................................    2
           Start and stop points on columns, rows, sections     0  111    0   67    0   87
           Grid sampling on x, y, z ........................   68   88  112
           Cell dimensions .................................  55.03000  73.16000  92.49000  90.00000 102.48000  90.00000
           Fast, medium, slow axes .........................    Z    X    Y
           Minimum density .................................     0.00000
           Maximum density .................................    12.14377
           Mean density ....................................     0.20173
           Rms deviation from mean density .................     0.46919
           Space-group .....................................    4
           Number of titles ................................    1


     Labels:                            
  [No title given]




 Input key words now


  EITHER
 CORRELATE SECTION - to calculate correlation section by section

  OR
 CORRELATE RESIDUE - to calculate correlation residue by residue

  OR
 CORRELATE ATOM    - to calculate correlation atom by atom

  OR
 REAL space R factor - calculated  residue by residue
 This requires Map1 = FC  
               Map2 = Fobs ( scaled to FC)
               Map3 = "Atom map" with residue flag

  OR
 MAP AVERAGE - average two maps and output new map


  OR
 MAP EXCLUDE - output map2 with points excluded if they  exist in map1 
 eg output solvent density after masking with FC from  protein coordinates.


  OR
 MAP INCLUDE - output map2 with points included only  if they exist in map1 
 eg output protein density after masking with FC from protein coordinates.


 Data line--- correlate residue
  Correlation residue by residue
 Data line--- chain A 1 373
 Data line--- chain B 1 373
 Comment line--- ## This script run with the command   ##########
>>>>>> CCP4 library signal ccp4_parser:Line is longer than allocated length, so truncated (Success)
	 raised in ccp4_parser <<<<<<
 Comment line--- # overlapmap MAPIN1 "/tmp/phzwart/betty_20_1_map.map.tmp" MAPIN2 "/tmp/phzwart/b
 Comment line--- ################################################

 Check print - Mode =     3




 Logical Name: MAPIN3   Filename: /tmp/phzwart/betty_20_15_map.tmp 

File name for input map file on unit   2 : /tmp/phzwart/betty_20_15_map.tmp
file size 2682016 ; logical name MAPIN3



           Number of columns, rows, sections ...............  112   68   88
           Map mode ........................................    2
           Start and stop points on columns, rows, sections     0  111    0   67    0   87
           Grid sampling on x, y, z ........................   68   88  112
           Cell dimensions .................................  55.03000  73.16000  92.49000  90.00000 102.48000  90.00000
           Fast, medium, slow axes .........................    Z    X    Y
           Minimum density .................................     0.00000
           Maximum density .................................1074602.12500
           Mean density ....................................250747.04688
           Rms deviation from mean density .................426485.15625
           Space-group .....................................    4
           Number of titles ................................    1


     Labels:                            
  [No title given]


      Total correlation coefficient is :    0.6995
 RMS positive density in  1.map2 (all positive  pts)       0.567
 RMS positive density in  1.map2 (matching map1 pts)       0.886
 RMS positive density in  1.map2 (nonmatching map1 pts)       0.186
 Numbers of positive pts  in  above ranges    428560    163847    264713
 ********************************************************
 ********************************************************
 $TABLE:  Correlation Residue by Residue (chain A) :
 $GRAPHS: Residue correlation (chain A):   1| 373x-1|1:1,2,3: $$
Residue_number  Correlation_coeff_Main_chain 
 Correlation_coeff_Side_chain $$
ResNo      Main-corr-coeff Side-Corr-coeff $$
       1             0.8175   0.0000
       2             0.6766   0.6331
       3             0.7934   0.6159
       4             0.7748   0.0000
       5             0.6776   0.7936
       6             0.7865   0.7591
       7             0.7089   0.7258
       8             0.7943   0.7145
       9             0.7838   0.7293
      10             0.7017   0.7300
      11             0.6852   0.6714
      12             0.6057   0.5516
      13             0.6775   0.6944
      14             0.7976   0.7109
      15             0.7637   0.8124
      16             0.7541   0.6127
      17             0.7672   0.7063
      18             0.8641   0.6459
      19             0.7704   0.7466
      20             0.7813   0.7960
      21             0.7673   0.7863
      22             0.7179   0.7572
      23             0.8064   0.6438
      24             0.7669   0.7506
      25             0.7248   0.7357
      26             0.5733   0.7066
      27             0.6765   0.6214
      28             0.6635   0.5852
      29             0.7538   0.4478
      30             0.6728   0.7769
      31             0.7815   0.6764
      32             0.7805   0.7528
      33             0.7681   0.2666
      34             0.6248   0.7927
      35             0.5914   0.7033
      36             0.7332   0.6809
      37             0.6888   0.7439
      38             0.7642   0.6859
      39             0.6437   0.6588
      40             0.6407   0.7188
      41             0.6379   0.7353
      42             0.6671   0.6258
      43             0.7340   0.5880
      44             0.6116   0.0000
      45             0.7592   0.6751
      46             0.6663   0.2855
      47             0.6853   0.7254
      48             0.6547   0.6766
      49             0.7234   0.6987
      50             0.6903   0.7141
      51             0.7477   0.8044
      52             0.7126   0.6799
      53             0.7562   0.7121
      54             0.7211   0.6688
      55             0.7879   0.0000
      56             0.7192   0.7766
      57             0.7451   0.6934
      58             0.8095   0.7554
      59             0.8594   0.3289
      60             0.7992   0.7067
      61             0.8053   0.7200
      62             0.7899   0.8000
      63             0.7179   0.7591
      64             0.5899   0.6870
      65             0.7681   0.6334
      66             0.7108   0.0000
      67             0.7129   0.5548
      68             0.6708   0.6295
      69             0.6432   0.3855
      70             0.7102   0.4889
      71             0.7821   0.0000
      72             0.5614   0.7482
      73             0.6797   0.7170
      74             0.7439   0.7448
      75             0.6695   0.6939
      76             0.6689   0.5633
      77             0.7099   0.0000
      78             0.7020   0.4886
      79             0.8165   0.0000
      80             0.5476   0.7066
      81             0.7080   0.6518
      82             0.7062   0.7782
      83             0.7593   0.6558
      84             0.7248   0.4635
      85             0.6932   0.6386
      86             0.7356   0.0000
      87             0.6357   0.7352
      88             0.7673   0.7021
      89             0.5857   0.6551
      90             0.6801   0.5888
      91             0.7003   0.7233
      92             0.6391   0.7423
      93             0.7686   0.7547
      94             0.6614   0.7122
      95             0.7343   0.7013
      96             0.5841   0.7087
      97             0.7531   0.3860
      98             0.7250   0.0000
      99             0.8340   0.7012
     100             0.7405   0.4298
     101             0.8198   0.6595
     102             0.7333   0.7514
     103             0.7539   0.3544
     104             0.7027   0.5418
     105             0.7549   0.7830
     106             0.8125   0.8224
     107             0.8357   0.4618
     108             0.7897   0.0000
     109             0.7036   0.7438
     110             0.6480   0.6900
     111             0.5234   0.4240
     112             0.7868   0.7268
     113             0.7351   0.6481
     114             0.7613   0.7403
     115             0.7460   0.6967
     116             0.7472   0.6692
     117             0.7521   0.7749
     118             0.7570   0.6908
     119             0.7043   0.5370
     120             0.7965   0.0000
     121             0.6846   0.6327
     122             0.8028   0.7074
     123             0.8021   0.7726
     124             0.7650   0.8136
     125             0.7843   0.0000
     126             0.7082   0.6988
     127             0.7365   0.7506
     128             0.7014   0.7719
     129             0.7374   0.7196
     130             0.7211   0.6948
     131             0.7956   0.7138
     132             0.8096   0.8030
     133             0.8124   0.0000
     134             0.6992   0.7324
     135             0.7820   0.7684
     136             0.6110   0.6806
     137             0.6667   0.7883
     138             0.7407   0.7497
     139             0.6736   0.6862
     140             0.7447   0.6503
     141             0.6691   0.0000
     142             0.5402   0.5536
     143             0.5808   0.5671
     144             0.7115   0.7133
     145             0.6491   0.6936
     146             0.6818   0.7246
     147             0.7122   0.7477
     148             0.6970   0.7396
     149             0.6951   0.7459
     150             0.6534   0.5906
     151             0.6460   0.6235
     152             0.5076   0.7373
     153             0.6665   0.7379
     154             0.5822   0.6811
     155             0.7003   0.5539
     156             0.6259   0.7287
     157             0.7418   0.3045
     158             0.7024   0.6605
     159             0.6551   0.6818
     160             0.7646   0.7684
     161             0.7358   0.6232
     162             0.7245   0.4585
     163             0.6443   0.6232
     164             0.7162   0.7214
     165             0.7409   0.6752
     166             0.6629   0.6473
     167             0.7251   0.7007
     168             0.6613   0.6149
     169             0.7453   0.5438
     170             0.6818   0.7289
     171             0.6907   0.7782
     172             0.7710   0.0000
     173             0.6034   0.3488
     174             0.5778   0.0000
     175             0.7033   0.7552
     176             0.5994   0.6945
     177             0.5162   0.5781
     178             0.6927   0.0000
     179             0.6623   0.7856
     180             0.6608   0.0000
     181             0.6894   0.7049
     182             0.6594   0.5014
     183             0.7969   0.7983
     184             0.7469   0.6896
     185             0.6312   0.7106
     186             0.7450   0.4732
     187             0.6834   0.6401
     188             0.6848   0.6270
     189             0.7295   0.7151
     190             0.7939   0.5176
     191             0.7848   0.0000
     192             0.7026   0.6955
     193             0.6876   0.6596
     194             0.6992   0.6332
     195             0.7420   0.5972
     196             0.5901   0.5528
     197             0.6008   0.6711
     198             0.7258   0.0000
     199             0.5834   0.6381
     200             0.5954   0.0000
     201             0.6237   0.0000
     202             0.6792   0.6660
     203             0.7076   0.0000
     204             0.7096   0.7033
     205             0.6972   0.7639
     206             0.6221   0.7041
     207             0.6026   0.6922
     208             0.5759   0.7184
     209             0.5783   0.0000
     210             0.6554   0.6137
     211             0.7278   0.6470
     212             0.7818   0.5482
     213             0.7689   0.6167
     214             0.7054   0.0000
     215             0.7660   0.6335
     216             0.7584   0.5765
     217             0.6795   0.7742
     218             0.7146   0.6228
     219             0.6817   0.7718
     220             0.6750   0.0000
     221             0.6732   0.5953
     222             0.7337   0.6494
     223             0.7569   0.7353
     224             0.7049   0.7465
     225             0.7870   0.5949
     226             0.6952   0.6993
     227             0.7343   0.6461
     228             0.6566   0.7060
     229             0.7367   0.7404
     230             0.6449   0.5984
     231             0.6191   0.5039
     232             0.7042   0.7060
     233             0.7754   0.5768
     234             0.7171   0.6362
     235             0.6993   0.0000
     236             0.7201   0.6783
     237             0.7440   0.6369
     238             0.7068   0.6574
     239             0.7031   0.7838
     240             0.7013   0.6963
     241             0.6926   0.7582
     242             0.8141   0.7098
     243             0.6489   0.7609
     244             0.7241   0.7287
     245             0.7358   0.8133
     246             0.8464   0.7152
     247             0.6971   0.5924
     248             0.7414   0.7445
     249             0.7279   0.7412
     250             0.6987   0.7691
     251             0.7399   0.5200
     252             0.6896   0.6253
     253             0.5885   0.7306
     254             0.7452   0.7009
     255             0.7212   0.6001
     256             0.6781   0.6777
     257             0.6306   0.5654
     258             0.7362   0.7698
     259             0.7151   0.0000
     260             0.6875   0.0000
     261             0.6793   0.6363
     262             0.7198   0.7788
     263             0.6227   0.7461
     264             0.6096   0.5610
     265             0.6922   0.7011
     266             0.7223   0.6729
     267             0.6332   0.5828
     268             0.7745   0.6263
     269             0.7103   0.0000
     270             0.6639   0.6290
     271             0.6681   0.7519
     272             0.6493   0.6816
     273             0.6418   0.6613
     274             0.6016   0.6953
     275             0.7162   0.7237
     276             0.7219   0.7648
     277             0.5497   0.3030
     278             0.5872   0.6711
     279             0.7797   0.6507
     280             0.6997   0.6085
     281             0.6744   0.5133
     282             0.6351   0.7052
     283             0.6357   0.6945
     284             0.7400   0.5767
     285             0.6791   0.7721
     286             0.6462   0.0000
     287             0.7068   0.6961
     288             0.6658   0.6601
     289             0.6477   0.6599
     290             0.6238   0.6760
     291             0.6215   0.6667
     292             0.6837   0.0000
     293             0.6693   0.7742
     294             0.7904   0.7019
     295             0.7514   0.7950
     296             0.6744   0.8034
     297             0.6976   0.7067
     298             0.7675   0.6875
     299             0.7947   0.6480
     300             0.7814   0.7741
     301             0.7559   0.6985
     302             0.7501   0.6581
     303             0.7404   0.7654
     304             0.7478   0.7195
     305             0.7483   0.7548
     306             0.6829   0.6996
     307             0.6819   0.7145
     308             0.7270   0.7013
     309             0.7431   0.7406
     310             0.7120   0.0000
     311             0.6978   0.6645
     312             0.6247   0.6220
     313             0.6966   0.6619
     314             0.6880   0.7438
     315             0.6754   0.0000
     316             0.7118   0.6397
     317             0.6484   0.7341
     318             0.6498   0.7301
     319             0.6802   0.0000
     320             0.6812   0.0000
     321             0.5531   0.7325
     322             0.6465   0.6914
     323             0.6345   0.4972
     324             0.6881   0.6768
     325             0.7407   0.7657
     326             0.7337   0.6794
     327             0.6287   0.7138
     328             0.8191   0.7378
     329             0.7609   0.6605
     330             0.6498   0.7508
     331             0.6509   0.6985
     332             0.6807   0.6025
     333             0.7099   0.7329
     334             0.6540   0.7606
     335             0.7172   0.7415
     336             0.7952   0.6455
     337             0.7524   0.6682
     338             0.7873   0.6978
     339             0.7854   0.7678
     340             0.7758   0.5225
     341             0.7406   0.7233
     342             0.7893   0.7725
     343             0.7383   0.8097
     344             0.6217   0.7448
     345             0.7121   0.6575
     346             0.7197   0.5855
     347             0.7417   0.8008
     348             0.7550   0.6653
     349             0.7207   0.7251
     350             0.6758   0.7517
     351             0.6750   0.6241
     352             0.7532   0.7291
     353             0.7365   0.6914
     354             0.7623   0.6231
     355             0.6447   0.7709
     356             0.7268   0.5475
     357             0.6898   0.0000
     358             0.6873   0.7485
     359             0.7606   0.7890
     360             0.7310   0.6724
     361             0.6688   0.6778
     362             0.7170   0.7207
     363             0.5843   0.7798
     364             0.8293   0.0000
     365             0.7230   0.5779
     366             0.6363   0.5590
     367             0.6266   0.6399
     368             0.7234   0.7483
     369             0.7172   0.7063
     370             0.7484   0.7243
     371             0.6251   0.6648
     372             0.7311   0.5645
     373             0.6825   0.7666
 $$
 ********************************************************
 ********************************************************
 $TABLE:  Correlation Residue by Residue (chain B) :
 $GRAPHS: Residue correlation (chain B):   1| 373x-1|1:1,2,3: $$
Residue_number  Correlation_coeff_Main_chain 
 Correlation_coeff_Side_chain $$
ResNo      Main-corr-coeff Side-Corr-coeff $$
       1             0.6721   0.5916
       2             0.8040   0.7031
       3             0.8430   0.3371
       4             0.7626   0.0000
       5             0.7882   0.4673
       6             0.7929   0.7503
       7             0.7799   0.8013
       8             0.7713   0.5967
       9             0.8318   0.8210
      10             0.8005   0.7309
      11             0.6748   0.6259
      12             0.6543   0.5987
      13             0.7429   0.5972
      14             0.7455   0.7445
      15             0.6669   0.7804
      16             0.8016   0.7731
      17             0.5920   0.7257
      18             0.7670   0.7156
      19             0.7734   0.6753
      20             0.7878   0.7828
      21             0.8010   0.8215
      22             0.7347   0.7765
      23             0.8111   0.7100
      24             0.8177   0.7710
      25             0.8331   0.5397
      26             0.7704   0.7612
      27             0.7443   0.5941
      28             0.7466   0.6725
      29             0.7667   0.3940
      30             0.7532   0.8200
      31             0.7702   0.7555
      32             0.7468   0.7816
      33             0.7150   0.6403
      34             0.6941   0.8095
      35             0.6519   0.7386
      36             0.7235   0.7751
      37             0.7524   0.7555
      38             0.7740   0.7036
      39             0.7421   0.6774
      40             0.7174   0.7443
      41             0.7605   0.8056
      42             0.7043   0.7191
      43             0.7794   0.2921
      44             0.6966   0.0000
      45             0.7153   0.6879
      46             0.7299   0.3548
      47             0.5543   0.7905
      48             0.6831   0.5109
      49             0.6493   0.7236
      50             0.7335   0.6686
      51             0.7690   0.7988
      52             0.7262   0.7697
      53             0.6792   0.7631
      54             0.7870   0.6667
      55             0.8138   0.0000
      56             0.8042   0.7655
      57             0.7626   0.7121
      58             0.7825   0.7673
      59             0.8383   0.3736
      60             0.8363   0.7241
      61             0.8646   0.6806
      62             0.6681   0.7835
      63             0.6824   0.7047
      64             0.7154   0.7273
      65             0.7330   0.4685
      66             0.7433   0.0000
      67             0.7452   0.3849
      68             0.6232   0.7531
      69             0.7010   0.3158
      70             0.7337   0.3476
      71             0.6806   0.0000
      72             0.6993   0.6929
      73             0.7544   0.7028
      74             0.8114   0.7592
      75             0.7226   0.5205
      76             0.7359   0.6822
      77             0.7665   0.0000
      78             0.8160   0.6060
      79             0.8586   0.0000
      80             0.7721   0.7713
      81             0.7940   0.7601
      82             0.8113   0.8239
      83             0.7738   0.7578
      84             0.7723   0.4078
      85             0.7763   0.7255
      86             0.8438   0.0000
      87             0.7435   0.7450
      88             0.7128   0.7014
      89             0.6708   0.7529
      90             0.7063   0.6049
      91             0.6323   0.7899
      92             0.6722   0.7375
      93             0.7472   0.7865
      94             0.7015   0.6754
      95             0.7236   0.8169
      96             0.6129   0.7095
      97             0.7256   0.4653
      98             0.7531   0.0000
      99             0.7306   0.7089
     100             0.7471   0.3732
     101             0.7100   0.6712
     102             0.7238   0.6681
     103             0.7186   0.4228
     104             0.6760   0.5934
     105             0.7152   0.8290
     106             0.8824   0.7481
     107             0.7579   0.4181
     108             0.8361   0.0000
     109             0.7492   0.6716
     110             0.5736   0.7027
     111             0.6127   0.4026
     112             0.7116   0.7135
     113             0.5526   0.6261
     114             0.6746   0.6724
     115             0.7259   0.7827
     116             0.7138   0.7789
     117             0.6946   0.7608
     118             0.8553   0.6826
     119             0.7254   0.6090
     120             0.7941   0.0000
     121             0.6723   0.7606
     122             0.7911   0.7346
     123             0.8009   0.7973
     124             0.7954   0.7272
     125             0.7889   0.0000
     126             0.6576   0.6724
     127             0.7452   0.6553
     128             0.7439   0.7833
     129             0.7335   0.6959
     130             0.6920   0.7124
     131             0.6867   0.7991
     132             0.7966   0.7279
     133             0.8822   0.0000
     134             0.7337   0.4838
     135             0.8345   0.8142
     136             0.6206   0.7324
     137             0.6584   0.7713
     138             0.7217   0.6960
     139             0.6067   0.7355
     140             0.7547   0.7525
     141             0.7787   0.0000
     142             0.5131   0.6321
     143             0.6231   0.6778
     144             0.6795   0.7323
     145             0.6832   0.7372
     146             0.7848   0.7121
     147             0.7573   0.7774
     148             0.7633   0.7665
     149             0.7295   0.7260
     150             0.7794   0.6791
     151             0.6881   0.6130
     152             0.4968   0.6471
     153             0.6734   0.7496
     154             0.7315   0.6706
     155             0.6773   0.7653
     156             0.6832   0.7063
     157             0.7543   0.5654
     158             0.7823   0.6944
     159             0.7183   0.6910
     160             0.7922   0.6592
     161             0.7756   0.3364
     162             0.8226   0.2606
     163             0.6733   0.6701
     164             0.7384   0.7705
     165             0.7007   0.7522
     166             0.7725   0.7749
     167             0.7690   0.6173
     168             0.6356   0.5836
     169             0.6395   0.6076
     170             0.5575   0.7070
     171             0.6077   0.7195
     172             0.7138   0.0000
     173             0.6261   0.2745
     174             0.7285   0.0000
     175             0.6172   0.7203
     176             0.6303   0.7518
     177             0.4641   0.6431
     178             0.6237   0.0000
     179             0.5870   0.7727
     180             0.5845   0.0000
     181             0.5917   0.5411
     182             0.6638   0.5647
     183             0.7778   0.6843
     184             0.7947   0.5146
     185             0.7882   0.7459
     186             0.7415   0.7435
     187             0.7020   0.6502
     188             0.7336   0.5914
     189             0.7499   0.7600
     190             0.6963   0.7637
     191             0.7736   0.0000
     192             0.6147   0.6615
     193             0.6979   0.7441
     194             0.7258   0.6219
     195             0.7967   0.7162
     196             0.6512   0.6919
     197             0.6552   0.7162
     198             0.6941   0.0000
     199             0.6684   0.6482
     200             0.6205   0.0000
     201             0.6651   0.0000
     202             0.6618   0.6804
     203             0.6460   0.0000
     204             0.6865   0.5888
     205             0.6501   0.6817
     206             0.6139   0.6717
     207             0.6571   0.6921
     208             0.6348   0.7181
     209             0.6367   0.0000
     210             0.6415   0.6040
     211             0.7956   0.6444
     212             0.7846   0.3412
     213             0.7797   0.6427
     214             0.7761   0.0000
     215             0.7584   0.6771
     216             0.7574   0.5563
     217             0.7058   0.7900
     218             0.7169   0.5921
     219             0.7196   0.5645
     220             0.7664   0.0000
     221             0.7384   0.6170
     222             0.6664   0.6403
     223             0.7811   0.7314
     224             0.6301   0.6561
     225             0.6909   0.6412
     226             0.7261   0.6361
     227             0.6764   0.7168
     228             0.7482   0.7024
     229             0.7560   0.6510
     230             0.6247   0.6196
     231             0.5861   0.6473
     232             0.7276   0.6607
     233             0.7942   0.6053
     234             0.7517   0.6911
     235             0.8454   0.0000
     236             0.7449   0.4386
     237             0.7930   0.6905
     238             0.5774   0.5597
     239             0.6855   0.7118
     240             0.7534   0.7220
     241             0.7208   0.7797
     242             0.8127   0.7674
     243             0.7685   0.7579
     244             0.7112   0.7522
     245             0.6512   0.7841
     246             0.7763   0.6933
     247             0.6839   0.6990
     248             0.6738   0.7305
     249             0.6341   0.7231
     250             0.6637   0.7072
     251             0.7172   0.7792
     252             0.7763   0.7055
     253             0.6978   0.7399
     254             0.6803   0.6675
     255             0.8067   0.5540
     256             0.6924   0.7682
     257             0.6734   0.6082
     258             0.7171   0.6622
     259             0.7480   0.0000
     260             0.7319   0.0000
     261             0.5932   0.6854
     262             0.7158   0.7726
     263             0.7286   0.7399
     264             0.5726   0.6430
     265             0.7443   0.6757
     266             0.7089   0.6588
     267             0.6474   0.6645
     268             0.7265   0.6997
     269             0.7481   0.0000
     270             0.6183   0.6373
     271             0.7323   0.6596
     272             0.6779   0.7065
     273             0.7026   0.6011
     274             0.6490   0.6816
     275             0.5807   0.7373
     276             0.7104   0.7465
     277             0.5181   0.5966
     278             0.6458   0.5663
     279             0.7036   0.6172
     280             0.6832   0.5674
     281             0.6352   0.5909
     282             0.5761   0.6461
     283             0.6373   0.7732
     284             0.6602   0.4708
     285             0.7317   0.7495
     286             0.6912   0.0000
     287             0.6459   0.6351
     288             0.6810   0.6637
     289             0.7267   0.7227
     290             0.6056   0.6735
     291             0.5858   0.6378
     292             0.6405   0.0000
     293             0.6684   0.7494
     294             0.7335   0.6829
     295             0.7846   0.6754
     296             0.4988   0.6671
     297             0.7432   0.5608
     298             0.7415   0.7739
     299             0.8755   0.7775
     300             0.7180   0.6751
     301             0.7773   0.6256
     302             0.7484   0.6585
     303             0.6778   0.6235
     304             0.7914   0.7747
     305             0.6382   0.7710
     306             0.5961   0.6234
     307             0.5989   0.6957
     308             0.7508   0.7277
     309             0.7052   0.6686
     310             0.6347   0.0000
     311             0.7139   0.6811
     312             0.6305   0.6817
     313             0.7579   0.7176
     314             0.7104   0.7498
     315             0.7474   0.0000
     316             0.6742   0.5961
     317             0.6657   0.7352
     318             0.6818   0.7336
     319             0.6688   0.0000
     320             0.6947   0.0000
     321             0.6338   0.7212
     322             0.6474   0.7728
     323             0.7296   0.5847
     324             0.7423   0.7564
     325             0.7728   0.7412
     326             0.7246   0.7442
     327             0.6860   0.6807
     328             0.7507   0.7842
     329             0.7673   0.5235
     330             0.6144   0.6320
     331             0.6570   0.7105
     332             0.7205   0.5056
     333             0.6435   0.7823
     334             0.7104   0.7540
     335             0.8034   0.7682
     336             0.7718   0.6868
     337             0.7587   0.6212
     338             0.7921   0.5253
     339             0.8154   0.7307
     340             0.8071   0.6533
     341             0.7467   0.7716
     342             0.7924   0.8068
     343             0.7947   0.8334
     344             0.6991   0.7033
     345             0.7679   0.6870
     346             0.7535   0.6700
     347             0.7315   0.8249
     348             0.7451   0.6901
     349             0.7595   0.7543
     350             0.6722   0.7799
     351             0.7010   0.7628
     352             0.7901   0.7539
     353             0.7536   0.7082
     354             0.6742   0.6623
     355             0.7058   0.7649
     356             0.7696   0.6837
     357             0.7431   0.0000
     358             0.7769   0.7593
     359             0.6896   0.7623
     360             0.7873   0.7395
     361             0.7681   0.6530
     362             0.7688   0.7530
     363             0.7589   0.6755
     364             0.8172   0.0000
     365             0.7663   0.6408
     366             0.7023   0.6013
     367             0.7096   0.6847
     368             0.7037   0.7442
     369             0.7604   0.7859
     370             0.6280   0.6861
     371             0.7219   0.7241
     372             0.7523   0.6221
     373             0.8326   0.7672
  $$
 Total:              0.7036   0.6773
<B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN-->
 OVERLAPMAP:   Normal termination 
Times: User:       0.1s System:    0.0s Elapsed:     0:00  
</pre>
</html>
<!--SUMMARY_END--></FONT></B>

#CCP4I TERMINATION STATUS 1 
#CCP4I TERMINATION TIME 07 Dec 2006  10:50:01
#CCP4I MESSAGE Task completed successfully