fix side chain geometry in refmac

[Sabine Ringhofer <sr@llnl.gov>]

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Dear all,

How can I fix the geometry of side chains in refmac? I want to treat
certain
side chains as rigid bodies, but refine the rest of the protein with the
maximum
likelihood method.

I tried the following input:

REFI RESI MLKF RESO res_limits
RIGID group 1 FROM 1 A TO 50 A EXCL SCHA

But refmac still changes the geometry of the excluded side chains. Any
suggestions?

Thanks,

Sabine

--

************************************************************
Dr. Sabine Ringhofer
Lawrence Livermore National Laboratory
POB 808 L452
Livermore CA 94550
sr@llnl.gov
(925) 423-6888
(925) 422-2282 (Fax)
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