
So, how do you use SHELX?

If you are in a hurry, type this:
/programs/bin/shelxs ano
and
/programs/bin/shelxs iso

to locate heavy atom sites using your best anomalous differences, or 
your best dispersive differences (respectively).

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Key concepts:
1)  Shelx needs an input file (ALWAYS *.ins) and an HKL file (ALWAYS *.hkl)
2)  The prefixes of these files MUST be the same
3)  Shelx produces two output files: prefix.res and prefix.lst
	prefix.res contains the atom sites
	prefix.lst is the "log" file
4)  the UNIT and ZERR lines in prefix.ins should indicate the expected number
	of metal sites in the CELL, not the ASU
	UNIT is for metal:protein scaling and
	ZERR controls site picking
5)  in prefix.lst, lower CFOMs are BETTER


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How do I know if it worked?
1)  That's a good question, it can be hard to tell.
2)  a CFOM below 0.1 is really good.
3)  make sure your sites are not on special positions (s.o.f.==1)
4)  Calculate Patterson vectors from SHELX's sites, and 
    see if they are consistent with your Patterson peaks.


For more detailed information, go to the SHELX homepage at:

netscape http://shelx.uni-ac.gwdg.de/SHELX/

