[phenixbb] autosol w/ "no merge original index"?

Tom Terwilliger terwilliger at lanl.gov
Wed Dec 19 13:04:06 PST 2007

Hi Bryan,

Yes, "No merge original index" files should work fine.  This file 
should be converted by the autosol wizard to premerged scalepack 
during the run.  In your case this seems to be so as the file header 
that is being read during the middle of the run

       86.052    86.052   132.608    90.000    90.000    90.000 p41212

is premerged scalepack.

Now what does not make sense is the error message "You have set the 
keywords readdenzo     and unmerged".  I am not sure where that has 
come from.  I just ran a SAD dataset to test this with an unmerged 
original index file, and it ran fine for me.

If this doesn't help, could you send me (terwilliger at lanl.gov)  your 
input script and datafile ( or even the first 1000 lines of the 
datafile) and I can try to debug it.

-Tom T

At 01:24 PM 12/19/2007, you wrote:
>phenix 1.3b of  21-10-2007
>confusion w/ "no merge original index" data file in phenix.autosol.  this
>should work, right?
>caveat - the 'nmoi' hkl is actually from scala, but that usually is fine
>w/ e.g. solve-2.13.  'nmoi' requires declaration of cell='(numbers)' on
>command line.
>phenix.autosol seems to go through all the usual checks fine, then
>reports (in AutoSol_run_2_/LAST.LOG):
>   The error seems to be at line            0
>   Here is what the first few lines of this file look like:
>       1
>    -987
>       86.052    86.052   132.608    90.000    90.000    90.000 p41212
>   You have set the keywords readdenzo     and unmerged
>   Please check whether you should have set readformatted or readtrek or
>... 'readdenzo' and 'unmerged' are just right for 'nmoi' files.  etc.
>phenixbb mailing list
>phenixbb at phenix-online.org

Thomas C. Terwilliger
Mail Stop M888
Los Alamos National Laboratory
Los Alamos, NM 87545

Tel:  505-667-0072                 email: terwilliger at LANL.gov
Fax: 505-665-3024                 SOLVE web site: http://solve.lanl.gov
PHENIX web site: http:www.phenix-online.org
ISFI Integrated Center for Structure and Function Innovation web 
site: http://techcenter.mbi.ucla.edu
TB Structural Genomics Consortium web site: http://www.doe-mbi.ucla.edu/TB

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