Re: [ccp4bb]: DM script

[Pinotsis <pinotsis@embl-hamburg.de>]

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hi,

Each domain must have the identity and the rotation matrix.
My log file is like this:

Data line--- <a href="/work/ccp4-4.2/html/dm.html#average">AVERAGE </a>
domain 1
Data line--- <a href="/work/ccp4-4.2/html/dm.html#average">ROTATION</a>
MATRIX 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 1.0
Data line--- <ahref="/work/ccp4-4.2/html/dm.html#average">TRANSLAT</a> 0.0 0.0 0.0
Data line--- <a href="/work/ccp4-4.2/html/dm.html#average">AVERAGE </a>
domain 1
Data line--- <a href="/work/ccp4-4.2/html/dm.html#average">ROTATION</a>
MATRIX -0.37067 0.77125 0.51747 -0.92783 -0.33255 -0.16897 0.04176
-0.54275 0.83885
Data line--- <ahref="/work/ccp4-4.2/html/dm.html#average">TRANSLAT</a> -1.65083 43.97869
62.31233

That means that if your are using the ccp4i you must click on domain 1 add
operator and NOT add domain at the end of define NCS symmetry

Best Regards
Nikos Pinotsis
EMBL-Hamburg


> Data line--- MODE SOLV     AVER
> Data line--- COMBINE PERT
> Data line--- SCHEME  ALL
> Data line--- NCYCLE  10
> Data line--- SOLCONT 0.7
> Data line--- AVERAGE domain 1     REFI
> Data line--- ROTATION MATRIX     1.0 0.0 0.0     0.0 1.0 0.0     0.0 0.0
> 1.0
> Data line--- TRANSLAT 0.0 0.0 0.0
> Data line--- AVERAGE domain 2     REFI
> Data line--- ROTATION MATRIX     -0.2862 -0.71842 -0.634     -0.71699
> -0.27837 0.63909
> -0.63562 0.63648 -0.43544
> Data line--- TRANSLAT 78.126 77.857 -0.03
> Data line--- NCSMASK nmer 2  update 10
> Data line--- LABIN  FP=FPsha SIGFP=SIGFPsha PHIO=PHIBsha FOMO=FOMsha
> Data line--- >LABOUT FDM=FDM2 PHIDM=PHIDM2 FOMDM=FOMDM2
> dm:   (RCARDS) AVER: enter indentity matrix first
> Times: User:       0.0s System:    0.0s Elapsed:    0:00
> </pre>
> </html>
> ************************************************************************
> ***
> * Information from CCP4Interface script
> ************************************************************************
> ***
> The program run with command: dm HKLIN
> /u2/gokulan/sharpfiles/logfiles_local/test-lys.1/eden_flat_49.8pc.mtz
> HKLOUT
> /u2/gokulan/sharpfiles/logfiles_local/test-lys.1/eden_flat_49.8pc_dm2.mt
> z
> SOLOUT
> /u2/gokulan/sharpfiles/logfiles_local/test-lys.1/eden_flat_49.8pc_dm2.ms
> k
> NCSOUT /u2/gokulan/acps/REFMAC/SHARP_48_ncs.msk VUOUT
> /u2/gokulan/sharpfiles/logfiles.pompano/test-lys.1/SHARP_48_ncs.odat
> has failed with error message
> dm:   (RCARDS) AVER: enter indentity matrix first
> ************************************************************************
> ***
>
>
> #CCP4I TERMINATION STATUS 0 " dm:   (RCARDS) AVER: enter indentity
> matrix
> first                                                   "
> #CCP4I TERMINATION TIME 19 Sep 2002  18:59:21
> #CCP4I TERMINATION OUTPUT_FILES
> /u2/gokulan/acps/REFMAC/SHARP_48_ncs.msk
> TEMPORARY
> #CCP4I MESSAGE Task failed
>
>
>
> ------------------------------------
> Bernhard Rupp
> Dept. of Biochemistry and Biophysics
> 2128 Texas A&M University
> College Station, TX 77843-2128
> cell 925 209 7429
> lab  979 862 7639
> sec  979 862 7636
> fax  801 880 3982
> ------------------------------------
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