[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

[ccp4bb]: aMoRe

***  For details on how to be removed from this list visit the  ***
***          CCP4 home page http://www.ccp4.ac.uk         ***

 Dear All:
I am working on AMORE phaceing using a program AMORE in CCP4 package.
The result out from transliation function is strange to me. The Tz is zero for
 all of the translation solutions. I am puzzled at it. Can any one give me
a clue?

There is the my script file:
> #!/bin/csh -f
> amore TABLE1  search.tab \
>       HKLPCK0 1a2_p3_pck3a.hkl \
>       traing_nr 100000 \
>        traing_meq 100 \
>        traing_mrt 10000000 \
>        traing_mt 10000000 \
>        traing_mr 10000000 \
>        MAPOUT ../amore_replace/amore_trans.map <<EOF
> TRAFUN CB NMOL 1 RESO 8 2.5  PKLIM 0.4  NPIC 10
> SYMM p3
> CRYSTAL ORTH 1 FLIMI 0.0E0 1.0E8 SHARP 0.0
> VERB
> TITLE : Translation function P3- one molecule
> SOLUTIONRC   1    34.53  149.19   18.74
> SOLUTIONRC   1   115.35  125.22    6.77
> SOLUTIONRC   1    86.19   32.03  196.74
>SOLUTIONRC   1   101.78   97.89  129.01
> SOLUTIONRC   1    16.60   82.46  309.00
> SOLUTIONRC   1    75.72   62.22  160.00
> SOLUTIONRC   1    35.80   66.48  144.20
> SOLUTIONRC   1     4.68   55.81  186.47
> SOLUTIONRC   1    79.52  157.61   40.79
> SOLUTIONRC   1    55.49   51.43  280.84
> SOLUTIONRC   1    89.85   89.78  181.06
> SOLUTIONRC   1    41.33   22.46  218.62
> SOLUTIONRC   1    82.06  111.96  324.42
> SOLUTIONRC   1    64.00  128.62  101.10
> SOLUTIONRC   1    29.59   90.37    0.64
>EOF
> #

The out put is as follow:
> SOLUTIONTF1  1   13.97   34.80   46.80  0.9747  0.0404  0.0000 28.4 57.9
> 20.6   8    7.8
>  SOLUTIONTF1  1   89.85   89.78  181.06  0.3384  0.6465  0.0000 28.3
58.0
> 21.4   6    3.2
>  SOLUTIONTF1  1   43.50   17.27  169.00  0.0354  0.0404  0.0000 28.3
57.5
> 18.6   3    5.2
>  SOLUTIONTF1  1   29.59   90.37    0.64  0.6465  0.3384  0.0000 28.3
57.9
> 21.2   7    3.2
>  SOLUTIONTF1  1   41.33   22.46  218.62  0.5556  0.3232  0.0000 28.2
58.0
> 20.7   2   14.5
>  SOLUTIONTF1  1   79.52  157.61   40.79  0.3687  0.5859  0.0000 28.1
58.4
> 20.9   1   14.1
>  SOLUTIONTF1  1   68.22   92.35   24.94  0.0354  0.0253  0.0000 28.0
58.3
> 21.1   3    4.3
>  SOLUTIONTF1  1   16.60   82.46  309.00  0.9646  0.0354  0.0000 28.0
58.5
> 21.0   1    8.4
>  SOLUTIONTF1  1    1.50  126.00  284.00  0.9848  0.0758  0.0000 28.0
57.9
> 20.9   1   11.5
>  SOLUTIONTF1  1  101.78   97.89  129.01  0.7020  0.2980  0.0000 27.9
58.3
> 20.9   2    8.4
>  SOLUTIONTF1  1   50.94   88.94  205.71  0.6111  0.3586  0.0000 27.9
58.1
> 22.2   7    9.8
>  SOLUTIONTF1  1   78.50  133.90  161.00  0.2576  0.5455  0.0000 27.8
58.0
> 20.0   6   14.5
>  SOLUTIONTF1  1   34.53  149.19   18.74  0.7121  0.3030  0.0000 27.8
58.2
> 21.7   1    9.0
>  SOLUTIONTF1  1  106.89  144.87  226.46  0.0101  0.1414  0.0000 27.7
58.3
> 20.5   2   18.7
>  SOLUTIONTF1  1  105.47   64.44   37.44  0.1414  0.1010  0.0000 27.7
58.0
> 20.0   2   17.2
>  SOLUTIONTF1  1   86.19   32.03  196.74  0.3586  0.5960  0.0000 27.7
58.8
> 20.8   2   11.8
>  SOLUTIONTF1  1   82.06  111.96  324.42  0.0707  0.0657  0.0000 27.7
58.6
> 20.1   1    9.3
>  SOLUTIONTF1  1   35.80   66.48  144.20  0.7323  0.3131  0.0000 27.7
58.3
> 19.7   4   10.6
>  SOLUTIONTF1  1  116.00  111.09   89.04  0.8030  0.3636  0.0000 27.6
58.4
> 20.1   3   17.0

Regards,

Xue-yuan Pei