[sharp-discuss] resid maps and final sharp round

[Joe Brunzelle]

I'm using autoSharp to determine a MAD structure (3 lambdas) which has 3 
SeMet sites per molecule and the AU has 2 molecules.  The input file contains these 
parameters for total AU.  During the RANTAN part 4 sites are found and 
piped to sharp (sharp run completes). Then during the residual map 
interpretation part only 3 of the 4 sites are detected in the maps.  This 
is consistent for all 3 lambdas (steps 1-3).  When the routine goes to 
step 4. Removing missing C-SITES the following error is reported:

syntax error at /progs2/sharp_new/bin/sharp/CsiteDel.pl line 88, near "+ }"
Execution of /progs2/sharp_new/bin/sharp/CsiteDel.pl aborted due to compilation errors. 

Also, when you look at the new SIN file to be used in the final round of 
Sharp, it is empty except for this
ATOMS {
}
G-SITES {
}
END

Has anyone seen this before or are there any suggestions to correct for 
this.

Thanks

-- 
Joseph S. Brunzelle, Ph.D.
Molecular Pharmacology and Biological Chemistry
Northwestern University Medical School
Ward Building, Room 8-264 Mail Code S215
303 E. Chicago Ave.
Chicago, IL 60611-3008
Phone (312) 503-0813
FAX (312) 503-5349
joeb@xtal.structure.northwestern.edu