[phenixbb] autosol w/ "no merge original index"?
terwilliger at lanl.gov
Wed Dec 19 13:04:06 PST 2007
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.
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
>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:
> 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
TB Structural Genomics Consortium web site: http://www.doe-mbi.ucla.edu/TB
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