PHIC wont do any harm - you may need it for various reasons - I use it
mostly as input for a DANO map to check out possible metal sites..
The reason for not using a refmac output mtz as input for the next run is
1) the refmac output Fobs has been scaled by the anisotropic scale so
all subsequent scaling as you improve the model wold be relative..
2) If there is any twinning detected the output "Fobs" have been
corrected for this twin factor.
3) Obviously if you asked for refinement with phase restraints it would
very unwise to set your input phase to the existing PHIC. However I
think this is well nigh impossible without relabelling PHIC to some
other column label - the mtz utilities would scream that you have an
input label and an output label the same..
Eleanor
factor On 12/13/2011 02:31 AM, Yuri Pompeu wrote:
Hi Ed,
I just had a chance of looking at your comment more closely.
You are right it only uses PHIC if in refmacs set up you choose to refine "with
prior phase information" -AFAIU.
So what exactly is the info contained in the output refmacX.mtz besides map
coefficients for COOT? If it is not just the raw xray data Fo, is it Fc only,
or Fc that are filled in for missing Fo?
I guess I am not really sure. I was under the impression that model´s PHIC
would cause the problems, if they were present.
Best,
