When refmac encounters new ligand, the default behavior is to report it
in the log file and exit.  But it also apparently creates the output
pdb-file (with coordinates the same as the input file).  Is there some
way to change this behavior so that no output pb file is generated?

What I need is the reliable way to detect when refmac has failed (for
any reason - missing ligand cif, no test set, unit cell mismatch, etc).
So far I relied on the fact that upon failure it does not generate
XYZOUT, but this seems to be one situation when it does.  I can still
detect it from inspecting the log file looking for the 
"===> Error: New ligand has been encountered. Stopping now"
line, which is a bit more tedious.  Are there any other situations when
the refinement failed but XYZOUT is nevertheless generated?

Cheers,

Ed.

-- 
"I'd jump in myself, if I weren't so good at whistling."
                               Julian, King of Lemurs

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