You can do unrestrained refinement in refmac, at your resolution it may
be OK. If you want to keep protein restrained, you can either use
harmonic restraints or come up with a special cif-file for your ligand
with large esd targets. There is no direct way to tell refmac to
exclude specific residue from restraints, at least to my knowledge.
Cheers,
Ed.
On 09/12/2012 02:44 PM, Yuri Pompeu wrote:
> What is the best way to refine the ligand unrestrained and then generate measurements?
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