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Dear All,
The REMARK 2 (resolution) card is also missing from the Refmac output.
There are quite a few programs that rely on that value. Can that one be
added as well?
Adding the matrix weight to the header may help us to reproduce the
results of the original refinement. At the moment, this is still very
difficult to say the least.
Cheers,
Robbie Joosten
Centre for Molecular and Biomolecular Informatics
Bernhard Rupp wrote:
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Dear All,
refmac writes a very useful header on top
of the PDB files which it refined. That header is
again read by autodep at the EBI and becomes
part of the PDB file.
I think there is one important parameter missing
which is needed to reproduce the refinement:
The matrix weight used. Could that be included in
the refinement REMARK section?
Thx, br
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Bernhard Rupp
www.ruppweb.org
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