Is there a symmetry clash or some such serious error? When the geometry
explodes like this it is worth reading the log file carefully to see
what geometric problems are listed with the input coordinates.
Eleanor
Mario Sanches wrote:
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Dear all,
I am refining a low resolution structure (3.0A) in refmac. The problem
is that no matter which value I choose for matrix weight the RMSD for
bonds stays higher than 0.3A (yes, I didn't mistype it, it is really
0.3A). I have tried matrix weight as low as 0.01 and also AUTO.
Since there is two subunits in the assymetric unit I am refining using
NCS. I also tried turning it off but the problem persists. The
coordinate file I entered to refmac came from CNS were I had no
problem with geometry. Since refmac has some advantages (like TLS
refinement) I always try to change to refmac at the end of the
refinement.
Is there something I am missing? Thanks in advance for all kind of
suggestions,
Mario Sanches
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